%chk=000257891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257891

0 1
O 6.239994 0.744824 -1.184123
O -6.245780 0.796672 1.111312
N 4.958221 1.705120 0.477834
N -4.893994 1.809514 -0.461690
C 0.391878 -1.786883 0.647574
C -0.412456 -1.788253 -0.691545
C 0.749991 -3.263262 0.933858
C -0.812477 -3.259162 -0.967707
C -0.324980 -4.100200 0.223918
C 1.602040 -0.889823 0.581815
C -1.601756 -0.862415 -0.614824
C 1.683628 0.232497 1.420565
C -1.632108 0.303002 -1.395492
C 2.655299 -1.146589 -0.310160
C -2.684148 -1.137597 0.236135
C 2.790668 1.079227 1.378440
C -2.718941 1.174966 -1.337446
C 3.770368 -0.312604 -0.368488
C -3.779416 -0.279172 0.309073
C 3.842126 0.805788 0.479470
C -3.800536 0.882809 -0.481361
C 6.095477 1.620266 -0.355341
C -6.056027 1.710511 0.334700
C 7.100915 2.714246 -0.115603
C -7.027088 2.841531 0.126749
H -0.282164 -1.432808 1.466887
H 0.258342 -1.450792 -1.518573
H 0.779644 -3.462438 2.016728
H 1.754261 -3.514864 0.549858
H -0.344128 -3.604389 -1.905424
H -1.899617 -3.368555 -1.117191
H 0.071838 -5.074823 -0.103333
H -1.161437 -4.320786 0.910454
H 0.872237 0.452456 2.114921
H -0.796907 0.537458 -2.055945
H 2.605096 -2.013321 -0.971113
H -2.670566 -2.038339 0.851863
H 2.830702 1.941483 2.038403
H -2.719860 2.070853 -1.952220
H 4.582776 -0.529381 -1.070674
H -4.615570 -0.510206 0.977962
H 4.903648 2.471157 1.150940
H -4.801672 2.608210 -1.091300
H 6.690743 3.714045 -0.307220
H 7.957719 2.585055 -0.799306
H 7.505255 2.698918 0.904761
H -6.597982 3.818736 0.382603
H -7.905819 2.698785 0.779173
H -7.402541 2.890634 -0.903518


%chk=000257891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257891

0 1
O 6.002699 1.270968 -1.312533
O -6.003823 1.299639 1.256168
N 4.629985 1.873422 0.497106
N -4.559749 1.968683 -0.472993
C 0.458774 -2.170585 0.593595
C -0.482074 -2.167924 -0.678110
C 0.943051 -3.644535 0.678724
C -1.015301 -3.645462 -0.793409
C -0.329883 -4.456197 0.346750
C 1.559252 -1.121319 0.554452
C -1.562952 -1.096908 -0.617671
C 1.587176 -0.053998 1.486558
C -1.538091 0.021096 -1.487907
C 2.590713 -1.165522 -0.420231
C -2.623592 -1.170346 0.323470
C 2.603112 0.921397 1.452332
C -2.530157 1.019602 -1.424559
C 3.616286 -0.200813 -0.474976
C -3.626654 -0.184229 0.405652
C 3.629013 0.857655 0.473142
C -3.584985 0.927207 -0.479191
C 5.730439 2.042877 -0.346693
C -5.681981 2.118085 0.345337
C 6.589871 3.260152 0.004682
C -6.501315 3.374188 0.037336
H -0.179626 -1.973374 1.478620
H 0.156636 -1.952262 -1.556218
H 1.374936 -3.885003 1.666701
H 1.727407 -3.831252 -0.080567
H -0.742323 -4.059384 -1.781296
H -2.116062 -3.686269 -0.724303
H -0.111416 -5.499402 0.056386
H -0.986859 -4.493383 1.237679
H 0.799806 0.016395 2.246670
H -0.728591 0.113300 -2.222017
H 2.601893 -1.975550 -1.160170
H -2.675543 -2.023519 1.012125
H 2.597870 1.736340 2.188672
H -2.484746 1.873970 -2.113336
H 4.404206 -0.249353 -1.228431
H -4.437769 -0.255525 1.132211
H 4.522559 2.570158 1.238675
H -4.412384 2.703589 -1.169468
H 6.003951 4.196807 -0.046599
H 7.418144 3.322175 -0.715412
H 7.011960 3.173468 1.023305
H -5.894540 4.291471 0.154250
H -7.347767 3.419216 0.737270
H -6.896661 3.352359 -0.995379


