%chk=000208349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208349

0 1
O -4.050418 1.003412 -0.520664
N 3.765003 1.345431 0.417393
C 0.536340 -0.509746 -0.642750
C 1.925029 -0.267484 -0.002076
C 2.365533 1.203856 -0.135348
C -0.467752 0.572427 -0.242760
C 1.382740 2.071806 0.679986
C -0.054233 1.787872 0.344351
C 0.074751 -1.883709 -0.150986
C 0.647497 -0.450848 -2.179981
C -1.821842 0.360720 -0.512989
C -1.010765 2.764867 0.654841
C -0.503514 -2.001607 1.125444
C 0.261616 -3.040870 -0.918656
C 4.203743 2.773904 0.466806
C 4.743938 0.567053 -0.403910
C -2.757580 1.360104 -0.192179
C -2.369333 2.569519 0.393618
C -0.900189 -3.247674 1.612830
C -0.136716 -4.289548 -0.428520
C -0.719533 -4.397433 0.835875
C -5.104463 1.949808 -0.227181
H 2.667759 -0.948440 -0.460950
H 1.906542 -0.543984 1.072357
H 2.317456 1.514073 -1.211084
H 1.602570 3.145855 0.519703
H 1.543983 1.886851 1.765769
H 1.432417 -1.112561 -2.558814
H -0.296407 -0.737503 -2.658975
H 0.884026 0.565880 -2.516539
H -2.171247 -0.569430 -0.960397
H -0.694412 3.702519 1.112314
H -0.649931 -1.111998 1.739114
H 0.719704 -2.982849 -1.904287
H 5.258975 2.820786 0.780743
H 4.103395 3.321712 -0.481132
H 3.625287 3.300377 1.242561
H 4.854620 0.913278 -1.441415
H 5.729827 0.610291 0.086024
H 4.443450 -0.494809 -0.422983
H -3.087392 3.341270 0.643130
H -1.351766 -3.324373 2.600349
H 0.010219 -5.179451 -1.037628
H -1.030441 -5.367752 1.215491
H -5.161317 2.134812 0.849172
H -5.993834 1.412036 -0.580602
H -4.954935 2.873650 -0.792864


%chk=000208349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208349

0 1
O -4.154796 1.007118 -0.504148
N 3.783722 1.375634 0.434305
C 0.528749 -0.519632 -0.649233
C 1.918700 -0.247621 0.016465
C 2.402145 1.215007 -0.120824
C -0.488084 0.569119 -0.240077
C 1.398467 2.112043 0.638574
C -0.061267 1.813089 0.309432
C 0.070501 -1.920796 -0.172773
C 0.673813 -0.457028 -2.200446
C -1.861786 0.356494 -0.492655
C -1.038903 2.798919 0.584004
C -0.363060 -2.091196 1.170794
C 0.122712 -3.069412 -1.001357
C 4.224963 2.789504 0.490691
C 4.792104 0.564031 -0.286630
C -2.822641 1.350488 -0.206401
C -2.412935 2.592131 0.338819
C -0.731522 -3.357948 1.667491
C -0.245910 -4.344003 -0.508197
C -0.673109 -4.496272 0.828337
C -5.185238 2.006457 -0.221834
H 2.636132 -0.955356 -0.434448
H 1.871174 -0.481837 1.097028
H 2.396439 1.507388 -1.204874
H 1.589463 3.180953 0.432405
H 1.582506 1.957997 1.723122
H 1.489039 -1.114176 -2.556519
H -0.264703 -0.757246 -2.699312
H 0.905160 0.572057 -2.523026
H -2.210215 -0.596428 -0.904822
H -0.716244 3.760157 1.004269
H -0.428496 -1.214672 1.826628
H 0.446368 -2.982955 -2.043321
H 5.259226 2.826523 0.875967
H 4.210150 3.298341 -0.507703
H 3.594591 3.370328 1.182822
H 4.846395 0.800445 -1.380713
H 5.787449 0.754563 0.152119
H 4.586420 -0.512494 -0.177035
H -3.132630 3.383695 0.567807
H -1.067372 -3.458505 2.706026
H -0.199664 -5.215549 -1.171641
H -0.960375 -5.482367 1.210422
H -5.221005 2.258342 0.856501
H -6.132871 1.535712 -0.522854
H -5.025161 2.931059 -0.810984


