%chk=000296801.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296801

0 1
O -2.065568 2.403246 0.444633
N -3.771861 -0.089288 -0.039836
C -2.801295 -1.185251 0.234145
C -2.683485 0.162783 0.947800
C -5.204567 -0.146514 0.393721
C -1.903030 -1.574308 -0.909057
C -1.710539 1.252739 0.563079
C -5.440713 -0.861322 1.740261
C -5.949220 -0.894664 -0.727412
C -5.678066 1.313365 0.488318
C -0.275615 0.856817 0.403052
C 0.291071 -0.176377 1.161683
C 0.516509 1.565707 -0.512541
C 1.638428 -0.503357 1.002639
C 1.860769 1.232046 -0.683334
C 2.428567 0.196011 0.075192
C 3.855453 -0.157461 -0.099596
C 4.729246 -0.122380 0.998544
C 4.338997 -0.528195 -1.364289
C 6.075814 -0.454619 0.829450
C 5.685736 -0.863681 -1.525356
C 6.555534 -0.826697 -0.430619
H -3.106608 -2.046440 0.851054
H -2.907947 0.208787 2.026388
H -2.369632 -2.352835 -1.526136
H -0.937367 -1.950200 -0.548793
H -1.695858 -0.724509 -1.577949
H -4.930162 -0.356608 2.566067
H -6.508148 -0.872220 1.988537
H -5.108555 -1.903002 1.718108
H -7.030232 -0.878767 -0.562663
H -5.754489 -0.429080 -1.703282
H -5.631702 -1.939100 -0.801763
H -5.504864 1.843950 -0.458752
H -6.743449 1.377484 0.720876
H -5.124598 1.871570 1.252912
H -0.318013 -0.725712 1.879702
H 0.072249 2.384428 -1.085094
H 2.079101 -1.305568 1.592852
H 2.473765 1.783508 -1.395488
H 4.357827 0.171807 1.979157
H 3.662412 -0.559027 -2.217089
H 6.752975 -0.422680 1.681652
H 6.058296 -1.153911 -2.506572
H 7.604636 -1.086375 -0.559304


%chk=000296801-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296801

0 1
O -2.041219 0.454337 -2.244590
N -4.115046 -0.284364 -0.309722
C -3.761912 -1.671215 -0.708331
C -2.663616 -0.690631 -0.204908
C -4.897118 0.014587 0.954165
C -3.919033 -2.045060 -2.169359
C -1.676013 -0.044923 -1.135824
C -4.683872 -0.972385 2.136321
C -6.381603 -0.013889 0.516749
C -4.483508 1.443905 1.374273
C -0.221438 -0.022040 -0.742763
C 0.317242 -0.728586 0.367572
C 0.668544 0.748274 -1.541347
C 1.691458 -0.660662 0.666847
C 2.037344 0.820642 -1.237156
C 2.581650 0.118132 -0.123212
C 4.033397 0.193463 0.203202
C 4.483001 0.132072 1.551889
C 5.008877 0.329389 -0.823724
C 5.857138 0.203319 1.863001
C 6.383583 0.399436 -0.513993
C 6.815478 0.336878 0.831367
H -3.974043 -2.481074 0.009585
H -2.287787 -0.918855 0.800148
H -4.971521 -2.315244 -2.376227
H -3.282592 -2.912030 -2.426677
H -3.644486 -1.192625 -2.811344
H -3.627830 -1.017702 2.461080
H -5.276863 -0.630655 3.003572
H -5.021889 -1.995467 1.889291
H -7.040637 0.275590 1.355524
H -6.541205 0.685638 -0.321313
H -6.673569 -1.026078 0.180143
H -4.614429 2.136870 0.525655
H -5.099707 1.795824 2.221493
H -3.421679 1.476102 1.681985
H -0.322077 -1.362524 0.990300
H 0.248547 1.289104 -2.395843
H 2.086865 -1.246286 1.504168
H 2.691438 1.452269 -1.848440
H 3.750184 0.061781 2.363670
H 4.691018 0.348351 -1.872238
H 6.180060 0.164458 2.909365
H 7.117895 0.493858 -1.321718
H 7.882777 0.392116 1.072261


