%chk=000235268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235268

0 1
O 3.761352 -1.964692 0.049441
N 3.416675 0.319538 0.015047
N 2.205060 2.817893 -0.027483
C -0.163174 -0.704271 0.009581
C -1.197935 -1.805754 0.019534
C -0.804032 0.574226 -0.012385
C -2.504107 -1.045863 0.001235
C -2.256344 0.363605 -0.017590
C 1.212159 -0.817510 0.018970
C -0.047397 1.733697 -0.024721
C 1.992618 0.362567 0.006426
C 1.357400 1.633578 -0.015330
C -3.798103 -1.536018 0.000948
C -3.311020 1.264005 -0.036484
C -4.863073 -0.614996 -0.018297
C -4.624066 0.758616 -0.036661
C 4.221155 -0.839717 0.036028
C 5.696429 -0.544660 0.040129
H -1.104382 -2.448667 0.916120
H -1.094343 -2.474093 -0.857141
H 1.699236 -1.799764 0.035822
H -0.529263 2.708601 -0.041415
H -3.997109 -2.604159 0.015152
H -3.133658 2.335722 -0.050867
H -5.886361 -0.986986 -0.018747
H -5.461549 1.453779 -0.051377
H 3.874829 1.243846 0.004274
H 2.018884 3.379046 -0.857633
H 2.010407 3.401940 0.784745
H 6.017654 0.005534 -0.854274
H 6.264319 -1.490282 0.056792
H 6.007640 0.030839 0.922059


%chk=000235268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235268

0 1
O 3.927714 -2.011948 0.051807
N 3.407659 0.276408 0.016161
N 2.282446 2.710958 -0.025318
C -0.198233 -0.768372 0.010434
C -1.265020 -1.857458 0.019822
C -0.820070 0.517370 -0.011632
C -2.566850 -1.063320 0.000922
C -2.282355 0.337757 -0.017445
C 1.196950 -0.910314 0.020649
C -0.025027 1.684687 -0.023831
C 1.995305 0.267081 0.008284
C 1.379844 1.564339 -0.013918
C -3.895370 -1.521308 -0.000164
C -3.334085 1.281393 -0.036765
C -4.950375 -0.573636 -0.019635
C -4.669320 0.815590 -0.037714
C 4.292505 -0.796059 0.036244
C 5.764479 -0.379435 0.037636
H -1.185261 -2.502609 0.916636
H -1.175006 -2.528008 -0.857169
H 1.692266 -1.883274 0.037609
H -0.478643 2.682655 -0.040946
H -4.119358 -2.594341 0.013829
H -3.126164 2.357539 -0.050808
H -5.991112 -0.916515 -0.020732
H -5.496486 1.534346 -0.052559
H 3.757600 1.250800 0.003796
H 2.234161 3.274748 -0.881158
H 2.225392 3.298645 0.813754
H 6.012283 0.210088 -0.864411
H 6.387028 -1.285308 0.054543
H 6.003004 0.237104 0.923980


