%chk=000193802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193802

0 1
O -3.115023 -2.389139 0.095283
O 6.747216 -0.665793 0.478048
O -5.490048 -1.461248 0.091922
O -5.849134 0.738188 -0.083423
N -1.714945 1.457133 -0.308481
N 5.814713 0.241328 -0.072992
C -0.776250 0.384547 -0.208188
C -1.262317 -0.932283 -0.076529
C 1.502945 -0.442973 -0.181950
C 0.613272 0.629067 -0.255152
C -1.257092 2.878488 -0.384569
C 2.961326 -0.187962 -0.241134
C -3.069039 1.205884 -0.217375
C -0.342744 -1.996216 -0.001443
C -2.721943 -1.247397 -0.011815
C 1.024579 -1.762880 -0.055084
C -3.586488 -0.060959 -0.088696
C 3.740096 -0.688651 -1.220583
C 5.195383 -0.352337 -1.303511
C -1.051174 3.468311 1.004622
C 3.559031 0.597712 0.838527
C 4.898976 0.692538 0.946755
C -5.043301 -0.176789 -0.032128
H 1.000390 1.641947 -0.356691
H -0.312763 2.923620 -0.978348
H -2.009273 3.470205 -0.956867
H -3.749934 2.077831 -0.267216
H -0.738184 -3.015257 0.100283
H 1.728224 -2.591346 0.006618
H 3.354180 -1.334378 -2.007390
H 5.798636 -1.229703 -1.635950
H 5.345296 0.432516 -2.092154
H -1.980390 3.486746 1.590217
H -0.318322 2.897528 1.591683
H -0.686429 4.502252 0.943964
H 2.889220 1.063027 1.559549
H 5.412497 1.171194 1.787392
H 6.273317 -1.438566 0.916621
H -6.487500 -1.502186 0.126986


%chk=000193802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193802

0 1
O -3.146972 -2.516264 -0.091697
O 6.764051 -0.501435 0.817717
O -5.700070 -1.394640 -0.003861
O -5.846513 0.913285 -0.020332
N -1.748942 1.439095 -0.197479
N 5.793103 0.195912 -0.055740
C -0.809030 0.372706 -0.215695
C -1.302832 -0.967407 -0.189998
C 1.513749 -0.450945 -0.310200
C 0.589111 0.617166 -0.267453
C -1.310862 2.863041 -0.176904
C 2.978732 -0.173935 -0.389694
C -3.089737 1.161587 -0.136353
C -0.363727 -2.029973 -0.226898
C -2.764501 -1.302615 -0.120481
C 1.013569 -1.787806 -0.284870
C -3.644725 -0.117397 -0.097834
C 3.843141 -1.006133 -1.069095
C 5.295592 -0.605549 -1.221392
C -0.882526 3.337980 1.226680
C 3.536744 0.966118 0.354157
C 4.891315 1.020713 0.619409
C -5.127166 -0.128222 -0.039402
H 0.968923 1.641216 -0.305434
H -0.494639 2.993452 -0.908458
H -2.159062 3.469587 -0.537219
H -3.770408 2.019401 -0.119981
H -0.770445 -3.046278 -0.196364
H 1.717179 -2.626427 -0.281763
H 3.500773 -1.934259 -1.539260
H 5.968156 -1.473197 -1.332046
H 5.432113 0.030571 -2.120345
H -1.722719 3.261599 1.938360
H -0.044645 2.738776 1.621915
H -0.562297 4.394375 1.183326
H 2.877659 1.692588 0.836944
H 5.335048 1.695057 1.358216
H 6.229643 -1.000773 1.505762
H -6.689780 -1.276971 0.034562


