%chk=000238535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238535

0 1
O -0.839967 -0.393819 1.632380
O 0.838129 -0.398236 -1.637251
N -0.703499 1.197098 -0.018926
N 0.704261 1.196104 0.011081
C -2.829114 0.070705 0.335203
C 2.828064 0.065577 -0.340962
C -3.186232 -0.824015 -0.695137
C 3.183894 -0.828943 0.689972
C -3.815973 0.816699 1.010123
C 3.815958 0.809946 -1.016167
C -5.518044 -0.194788 -0.399861
C 5.517265 -0.207450 0.390523
C -4.533246 -0.945807 -1.058126
C 4.530950 -0.953756 1.051845
C -5.157161 0.682661 0.633975
C 5.157148 0.672919 -0.641098
C -1.404553 0.192776 0.729406
C 1.403703 0.189131 -0.735478
C -2.145764 -1.645782 -1.374564
C 2.142065 -1.647434 1.371276
C -3.424727 1.742432 2.112985
C 3.425834 1.736991 -2.118318
C -6.953228 -0.343339 -0.786341
C 6.949366 -0.338386 0.794577
H -4.816885 -1.632709 -1.851642
H 4.813198 -1.638467 1.847738
H -5.923077 1.256719 1.148632
H 5.923508 1.247857 -1.154110
H -1.268904 -1.056552 -1.705392
H -1.749895 -2.418607 -0.695421
H -2.519672 -2.165506 -2.265830
H 1.745792 -2.421755 0.694035
H 2.514945 -2.165104 2.264164
H 1.265665 -1.056362 1.699956
H -2.750520 2.535085 1.752904
H -4.282811 2.236709 2.585288
H -2.884295 1.203227 2.909364
H 2.887346 1.198280 -2.916368
H 2.750220 2.528555 -1.758514
H 4.284306 2.232618 -2.588494
H -1.068137 1.456982 -0.947921
H 1.069130 1.456320 0.939900
H -7.077459 -0.602464 -1.846599
H -7.428669 -1.145401 -0.200464
H -7.533206 0.572359 -0.608884
H 7.184803 -1.338033 1.184821
H 7.639469 -0.149033 -0.038849
H 7.194519 0.384098 1.588168


%chk=000238535-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238535

0 1
O -1.037179 -0.649348 1.696327
O 1.036326 -0.648153 -1.706454
N -0.695287 0.821971 -0.074817
N 0.697534 0.820171 0.067881
C -2.955429 -0.003693 0.287944
C 2.955317 -0.010397 -0.294601
C -3.374299 -0.714648 -0.874989
C 3.370828 -0.728890 0.864930
C -3.898482 0.686306 1.106319
C 3.901845 0.677595 -1.110530
C -5.704125 0.008025 -0.439705
C 5.702836 -0.008275 0.437837
C -4.748591 -0.683638 -1.220399
C 4.745273 -0.706502 1.210305
C -5.257994 0.688298 0.720943
C 5.261291 0.671522 -0.724889
C -1.505155 -0.015067 0.707477
C 1.505518 -0.017326 -0.716038
C -2.412768 -1.552110 -1.704675
C 2.406233 -1.572013 1.685292
C -3.456656 1.405671 2.369786
C 3.465209 1.395176 -2.376808
C -7.174734 -0.000844 -0.818819
C 7.163561 0.027999 0.851733
H -5.077741 -1.223624 -2.117319
H 5.072621 -1.259047 2.100135
H -5.984479 1.229807 1.339639
H 5.991641 1.205181 -1.345819
H -1.403352 -1.114593 -1.796341
H -2.278189 -2.547778 -1.238376
H -2.812419 -1.717166 -2.720145
H 2.265314 -2.560940 1.206750
H 2.806021 -1.751572 2.698217
H 1.399469 -1.129704 1.783678
H -2.624399 2.107499 2.172721
H -4.288881 1.978957 2.811623
H -3.091605 0.684315 3.123422
H 3.098918 0.673519 -3.129529
H 2.635084 2.100369 -2.182748
H 4.300218 1.964730 -2.818220
H -1.077626 1.270582 -0.910994
H 1.080686 1.264773 0.905833
H -7.311779 -0.117599 -1.908158
H -7.704192 -0.841457 -0.329205
H -7.680246 0.929907 -0.506239
H 7.446097 -0.874305 1.421768
H 7.831084 0.102941 -0.024833
H 7.371181 0.903480 1.497689


