%chk=000117117.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117117

0 1
 O   -1.754200      -1.999600     -0.2465000    
 O    1.754400       2.000900      0.2410000    
 N   -3.743000     -0.3446000     -0.5846000    
 N    3.743100      0.3453000      0.5850000    
 C   -1.393200      0.3427000     -0.2267000    
 C    1.392900     -0.3414000      0.2238000    
 C  -0.4609000       1.374300     -9.6500002E-02
 C   0.4608000      -1.373000      9.3000002E-02
 C  -0.9663000      -1.068600     -0.1371000    
 C   0.9661000       1.069900      0.1332000    
 C   -2.743000      0.6446000     -0.4434000    
 C    2.742400     -0.6432000      0.4427000    
 C  -0.8787000       2.707700     -0.1829000    
 C   0.8783000      -2.706400      0.1807000    
 C   -3.154900       1.974900     -0.5287000    
 C    3.154100      -1.973400      0.5296000    
 C   -2.224700       3.004100     -0.3988000    
 C    2.224000      -3.002800      0.3988000    
 C   -5.114700     -0.3605000     -0.2756000    
 C    5.114900      0.3604000      0.2767000    
 C   -7.840100     -0.3925000      0.3389000    
 C    7.840600      0.3905000     -0.3366000    
 C   -5.994600      -1.142900      -1.027600    
 C    5.604500     -0.4074000     -0.7829000    
 C   -5.603800      0.4057000      0.7853000    
 C    5.994500       1.143600       1.028100    
 C   -7.355200      -1.158700     -0.7210000    
 C    6.965300     -0.3925000      -1.088900    
 C   -6.964600      0.3897000       1.092000    
 C    7.355400       1.158600      0.7219000    
 C   -9.295000     -0.4087000      0.6661000    
 C    9.295800      0.4059000     -0.6631000    
 C   -10.07170      0.6682000     -8.7200001E-02
 C    10.07150     -0.6709000      9.1300003E-02
 H  -0.1749000       3.530200     -8.6999997E-02
 H   0.1745000      -3.528800      8.4299996E-02
 H   -4.187900       2.247300     -0.7269000    
 H    4.186600      -2.246000      0.7299000    
 H   -3.416600      -1.193200      -1.037200    
 H    3.416600       1.194500       1.036400    
 H   -2.546500       4.038900     -0.4728000    
 H    2.545500      -4.037600      0.4739000    
 H   -5.629600      -1.743600      -1.857000    
 H    4.944200      -1.007100      -1.403500    
 H   -4.943300       1.004700       1.406300    
 H    5.629300       1.745700       1.856400    
 H   -8.027500      -1.770600      -1.316700    
 H    7.330700     -0.9923000      -1.918300    
 H   -7.329700      0.9882000       1.922500    
 H    8.027600       1.771200       1.317000    
 H   -9.720000      -1.393300      0.4340000    
 H   -9.437600     -0.2723000       1.745400    
 H    9.438800      0.2686000      -1.742300    
 H    9.721100       1.390400     -0.4313000    
 H   -9.700200       1.669000      0.1580000    
 H   -11.13260      0.6245000      0.1788000    
 H   -9.986400      0.5332000      -1.170700    
 H    9.985600     -0.5352000       1.174700    
 H    11.13260     -0.6278000     -0.1741000    
 H    9.699700      -1.671600     -0.1534000    


%chk=000117117-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117117

0 1
O -1.840508 -2.053403 -0.201379
O 1.840237 2.054938 0.200087
N -3.786930 -0.349316 -0.082408
N 3.787140 0.350020 0.083412
C -1.439651 0.324193 -0.024284
C 1.439547 -0.322921 0.024204
C -0.462829 1.372868 0.042091
C 0.462668 -1.371566 -0.042406
C -0.998331 -1.070899 -0.088318
C 0.998170 1.072233 0.087873
C -2.850489 0.669576 -0.032774
C 2.850386 -0.668509 0.032982
C -0.857285 2.723982 0.069200
C 0.857017 -2.722704 -0.069832
C -3.215544 2.055069 -0.040989
C 3.215299 -2.054034 0.040718
C -2.233382 3.053448 0.007104
C 2.233074 -3.052313 -0.007805
C -5.197403 -0.282250 0.072124
C 5.197605 0.282386 -0.070861
C -8.048373 -0.355216 0.391620
C 8.048687 0.353996 -0.389576
C -5.986184 -1.223098 -0.644780
C 5.847700 -0.606917 -0.969513
C -5.847771 0.607356 0.970278
C 5.986727 1.222195 0.647022
C -7.384698 -1.256618 -0.480947
C 7.249994 -0.568339 -1.113354
C -7.250011 0.568103 1.114495
C 7.385300 1.255076 0.483541
C -9.564306 -0.358756 0.522283
C 9.564653 0.356791 -0.519872
C -10.248743 0.592283 -0.497262
C 10.248259 -0.596231 0.498378
H -0.081708 3.492328 0.120935
H 0.081379 -3.490969 -0.121827
H -4.268780 2.332745 -0.124831
H 4.268512 -2.331820 0.124595
H -3.338463 -1.289404 -0.208288
H 3.339063 1.290171 0.210382
H -2.539721 4.105055 -0.013732
H 2.539325 -4.103952 0.012723
H -5.492058 -1.921232 -1.330183
H 5.258329 -1.288196 -1.590679
H -5.258647 1.289375 1.590856
H 5.492819 1.920041 1.332875
H -7.972309 -1.993853 -1.041842
H 7.730917 -1.255393 -1.820922
H -7.731138 1.255415 1.821672
H 7.973186 1.991535 1.045166
H -9.951810 -1.384705 0.371991
H -9.854715 -0.055323 1.546506
H 9.855128 0.054747 -1.544489
H 9.952747 1.382268 -0.367916
H -9.910738 1.634467 -0.352244
H -11.348281 0.567196 -0.383963
H -10.002020 0.301407 -1.534490
H 10.001437 -0.306812 1.535990
H 11.347841 -0.571622 0.385400
H 9.909679 -1.637992 0.351663


