%chk=000125099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125099

0 1
 O  -0.5942000     -0.2577000       1.877800    
 O   -2.324400      -2.214000      0.8935000    
 O   -1.646100      0.6514000       2.296300    
 O   -3.952900       1.786800     -0.7533000    
 N   0.2322000      -1.303000     -0.1134000    
 N   0.6315000       1.475400     -0.1643000    
 N   -3.161400     -0.2652000     -7.0200004E-02
 N   -1.718100       1.610000     -0.4958000    
 C  -0.7965000     -0.4343000      0.4684000    
 C  -0.6663000      0.9530000     -0.1098000    
 C    1.544500     -0.7861000     -1.9099999E-02
 C    1.755400      0.6181000     -2.4599999E-02
 C  -2.7899999E-02  -2.019900      -1.361300    
 C   -2.150500      -1.079900      0.4433000    
 C    2.644200      -1.659500      6.2600002E-02
 C    3.077700       1.089400      7.1599998E-02
 C   0.8829000       2.890000     -0.4349000    
 C    4.157400      0.2076000      0.1630000    
 C   0.1225000      -1.112200      -2.564500    
 C   -2.986000       1.081300     -0.4541000    
 C    3.941800      -1.164600      0.1558000    
 C   -4.515600     -0.8066000     -0.1258000    
 C    5.549800      0.7402000      0.2586000    
 H   0.6549000      -2.872600      -1.460600    
 H   -1.030900      -2.458500      -1.364900    
 H    2.492000      -2.736400      6.9700003E-02
 H    3.289200       2.155800      7.2099999E-02
 H    1.490700       3.015000      -1.337900    
 H    1.384300       3.365800      0.4151000    
 H  -4.5200001E-02   3.447900     -0.5986000    
 H  -0.5833000     -0.2775000      -2.539200    
 H    1.133300     -0.7062000      -2.667300    
 H  -8.6400002E-02  -1.679900      -3.477900    
 H    4.773700      -1.860500      0.2220000    
 H   -5.007000     -0.4860000      -1.049500    
 H   -5.077100     -0.4088000      0.7254000    
 H   -4.516500      -1.898600     -7.8699999E-02
 H    5.575700       1.665800      0.8437000    
 H    6.215500      2.7500000E-02  0.7574000    
 H    5.943100      0.9436000     -0.7423000    
 H   -1.062400       1.411500       2.461700    


%chk=000125099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125099

0 1
O -0.977829 -0.819299 1.574420
O -2.435096 -1.645870 -1.294572
O -2.255239 -0.356194 2.261423
O -3.912726 2.338259 0.604043
N 0.264163 -1.089033 -0.395731
N 0.689977 1.662705 0.197156
N -3.179286 0.382740 -0.441920
N -1.607719 2.017270 0.421792
C -0.840819 -0.307748 0.059223
C -0.602066 1.179917 0.185489
C 1.582853 -0.566008 -0.331819
C 1.806162 0.815012 -0.036427
C 0.102250 -2.572023 -0.566445
C -2.204782 -0.592573 -0.636458
C 2.721063 -1.379368 -0.570522
C 3.123206 1.331055 0.014166
C 0.901500 3.106187 0.450972
C 4.251380 0.516413 -0.225573
C 0.228713 -3.037847 -2.029228
C -2.937518 1.623378 0.256996
C 4.024216 -0.850522 -0.514525
C -4.571000 0.099623 -0.860614
C 5.653560 1.097253 -0.198007
H 0.851087 -3.062970 0.083032
H -0.887067 -2.845826 -0.180949
H 2.600240 -2.438588 -0.800400
H 3.281378 2.387557 0.246017
H 1.415788 3.571695 -0.407393
H 1.505171 3.247458 1.364359
H -0.088524 3.562589 0.586819
H -0.616473 -2.645666 -2.615460
H 1.171879 -2.709803 -2.499463
H 0.191983 -4.142412 -2.066993
H 4.875606 -1.514902 -0.700261
H -5.018790 1.017060 -1.269967
H -5.166378 -0.223337 0.010388
H -4.548231 -0.701664 -1.612695
H 5.732720 1.938630 0.512918
H 6.398428 0.336312 0.093179
H 5.948318 1.480219 -1.194523
H -1.928501 0.438422 2.777553


