%chk=000071270.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071270

0 1
 O  -0.7893000     -0.4177000      -2.342100    
 N    1.365700      0.8504000      0.9742000    
 N  -0.7446000       1.437300     -0.9136000    
 N   -5.688500      -2.063600       1.265600    
 C  -0.2145000       2.794000       1.131800    
 C    1.410800       2.703100     -0.7200000    
 C   0.7335000       3.638900      0.2812000    
 C   0.5999000       1.716600       1.882100    
 C    2.206000       1.624700      4.9100000E-02
 C   -1.303000       2.180100      0.2306000    
 C   0.3426000       2.095600      -1.647100    
 C    2.159600     -0.1226000       1.719100    
 C   -1.239000      0.2184000      -1.390500    
 C    2.951200      -1.018900      0.8041000    
 C   -2.391800     -0.3732000     -0.7026000    
 C    2.387700      -2.204700      0.3538000    
 C    4.233000     -0.6466000      0.4236000    
 C   -3.682700     -5.9500001E-02  -1.119500    
 C   -2.189100      -1.245100      0.3641000    
 C    3.120800      -3.035000     -0.4940000    
 C    4.966000      -1.476900     -0.4243000    
 C    4.409800      -2.671100     -0.8830000    
 C   -4.778800     -0.6215000     -0.4650000    
 C   -3.285300      -1.807200       1.018600    
 C   -4.580200      -1.495400      0.6039000    
 H  -0.7023000       3.437100       1.874400    
 H    2.113900       3.280200      -1.333100    
 H   0.1836000       4.431800     -0.2400000    
 H    1.482500       4.129800      0.9143000    
 H    1.274600       2.215400       2.591000    
 H  -9.1899998E-02   1.103900       2.473500    
 H    2.639300      0.9865000     -0.7270000    
 H    3.026100       2.116000      0.5898000    
 H   -1.962800       1.552000      0.8335000    
 H   -1.923400       2.978300     -0.1954000    
 H  -0.1227000       2.888200      -2.246100    
 H   0.8080000       1.396300      -2.350200    
 H    1.500500     -0.7448000       2.339200    
 H    2.844600      0.3752000       2.419600    
 H    1.383700      -2.496400      0.6484000    
 H    4.686100      0.2726000      0.7840000    
 H   -3.847800      0.6207000      -1.950900    
 H   -1.184200      -1.492800      0.6954000    
 H    2.687600      -3.964400     -0.8519000    
 H    5.970900      -1.195300     -0.7248000    
 H    4.980900      -3.317800      -1.542800    
 H   -5.782900     -0.3705000     -0.7972000    
 H   -3.117200      -2.486200       1.850500    
 H   -5.545100      -2.697900       2.040100    
 H   -6.627500      -1.838500      0.9651000    


%chk=000071270-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071270

0 1
O -0.978348 0.219332 -2.718169
N 1.386539 1.145977 0.952159
N -0.749605 1.756593 -0.986345
N -4.798300 -2.858601 1.452763
C -0.217952 3.075317 1.104520
C 1.420372 3.001831 -0.759191
C 0.750687 3.944984 0.268801
C 0.603682 2.008340 1.867438
C 2.222725 1.916356 -0.001792
C -1.309658 2.497880 0.163360
C 0.342944 2.433553 -1.717772
C 2.154188 0.106671 1.671225
C -1.295349 0.598212 -1.536769
C 2.646220 -1.027856 0.773987
C -2.232658 -0.230136 -0.703266
C 1.877058 -1.471113 -0.331497
C 3.863060 -1.690743 1.070099
C -3.396656 -0.770791 -1.307966
C -1.922598 -0.624048 0.625695
C 2.313654 -2.557924 -1.119830
C 4.298898 -2.784633 0.287215
C 3.523808 -3.222797 -0.811412
C -4.254959 -1.628139 -0.598814
C -2.760325 -1.498647 1.340082
C -3.952708 -2.005009 0.743916
H -0.737041 3.701133 1.857671
H 2.139736 3.569425 -1.382264
H 0.200894 4.757897 -0.244933
H 1.511877 4.416388 0.920751
H 1.268637 2.549566 2.594467
H -0.068320 1.362524 2.467268
H 2.673982 1.205439 -0.717374
H 3.069968 2.423609 0.534956
H -2.006599 1.849027 0.713368
H -1.900574 3.359905 -0.223487
H -0.070371 3.270517 -2.323244
H 0.764098 1.700853 -2.425646
H 1.480721 -0.315091 2.446681
H 3.030626 0.540592 2.221506
H 0.946273 -0.950618 -0.577334
H 4.474237 -1.348569 1.915656
H -3.611822 -0.516820 -2.351415
H -0.988336 -0.272707 1.078259
H 1.707818 -2.881339 -1.973606
H 5.242380 -3.287671 0.529258
H 3.861824 -4.067296 -1.422830
H -5.157081 -2.023158 -1.082224
H -2.489247 -1.807719 2.357350
H -4.570670 -3.149916 2.398716
H -5.633431 -3.241083 1.019512


