%chk=000192706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192706

0 1
O 1.442734 1.471667 0.045478
O 1.877548 -0.799136 -0.014665
N -4.995285 -0.993843 -0.750295
N -4.107932 1.284856 -0.250693
N 3.571590 0.838699 0.097254
C -3.079930 -0.690369 0.830613
C -4.452327 -0.077234 0.304049
C -2.944657 -2.047639 0.105512
C -2.048708 0.306326 0.342603
C -3.904316 -1.963664 -1.095676
C -2.688065 1.373943 -0.358081
C -3.064767 -0.823699 2.347073
C -6.247796 -1.673449 -0.314936
C -0.675093 0.273158 0.487224
C -4.915804 1.764367 -1.398013
C -1.940739 2.400780 -0.941087
C 0.046984 1.326448 -0.099986
C -0.545754 2.371452 -0.812143
C 2.265615 0.343475 0.031631
C 4.751107 0.026598 0.134536
C 5.987950 0.697177 0.229946
C 4.696727 -1.375901 0.076219
C 7.164174 -0.052514 0.265816
C 5.887778 -2.102617 0.114072
C 7.120898 -1.449546 0.208552
H -5.186303 0.103378 1.124089
H -3.212315 -2.884490 0.771635
H -1.905512 -2.233257 -0.216640
H -3.381996 -1.546328 -1.985320
H -4.298809 -2.952889 -1.386698
H -2.118665 -1.256388 2.696447
H -3.165766 0.156059 2.833563
H -3.875397 -1.462676 2.712468
H -6.630542 -2.280567 -1.152013
H -7.014310 -0.913095 -0.093809
H -6.137583 -2.326330 0.563394
H -0.165786 -0.536623 1.009386
H -4.700937 1.235180 -2.341331
H -4.739109 2.842525 -1.536790
H -5.985154 1.615998 -1.172777
H -2.423236 3.210504 -1.480517
H 0.072113 3.152293 -1.250861
H 3.692982 1.856204 0.135053
H 6.035212 1.781951 0.275553
H 3.736407 -1.895527 0.001179
H 8.124140 0.458631 0.339343
H 5.851039 -3.191550 0.068838
H 8.042797 -2.025340 0.237208


%chk=000192706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192706

0 1
O 1.495732 1.429838 -0.002792
O 1.948154 -0.885264 -0.319797
N -5.140093 -1.075495 -0.666991
N -4.080012 1.143495 -0.585275
N 3.621483 0.730389 0.148979
C -3.138730 -0.647497 0.774216
C -4.503445 -0.044889 0.190571
C -3.057482 -2.058025 0.093606
C -2.078186 0.319323 0.245503
C -4.005310 -1.933883 -1.132526
C -2.701602 1.339393 -0.532989
C -3.137634 -0.733457 2.317488
C -6.240622 -1.824395 -0.014147
C -0.691198 0.296536 0.425552
C -5.019269 1.923328 -1.377052
C -1.928316 2.364089 -1.130989
C 0.077934 1.313817 -0.195713
C -0.523416 2.334076 -0.956964
C 2.330961 0.283909 -0.085500
C 4.819825 -0.033358 0.175933
C 6.028848 0.662363 0.448191
C 4.849475 -1.434187 -0.056971
C 7.253968 -0.032822 0.488156
C 6.085514 -2.114363 -0.012875
C 7.291583 -1.428046 0.257803
H -5.219635 0.242710 0.987545
H -3.426719 -2.835855 0.789482
H -2.023541 -2.315383 -0.192514
H -3.486849 -1.421420 -1.963815
H -4.380480 -2.901448 -1.506342
H -2.197696 -1.184459 2.685699
H -3.228191 0.269624 2.772076
H -3.976857 -1.357613 2.678874
H -6.711296 -2.492344 -0.756954
H -7.011812 -1.114472 0.333762
H -5.929214 -2.448107 0.857771
H -0.203517 -0.489500 1.008345
H -4.560773 2.227575 -2.337158
H -5.368444 2.839728 -0.854984
H -5.887631 1.283935 -1.612381
H -2.391868 3.166062 -1.713374
H 0.111199 3.105189 -1.404992
H 3.699452 1.735978 0.316872
H 6.007902 1.744967 0.628040
H 3.919386 -1.965681 -0.268272
H 8.178309 0.516262 0.699090
H 6.101909 -3.195031 -0.194112
H 8.243405 -1.968594 0.288328


