%chk=000196474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196474

0 1
O 0.993550 3.012261 -0.504034
O 2.106120 1.485451 -1.713506
O 4.514171 -2.553443 -0.896915
O -2.208450 1.908299 -1.131822
O 4.383078 -2.231260 1.312300
O -5.111631 -1.624836 -0.806523
N 0.500979 0.335358 0.830436
N -3.640565 0.159751 -0.994231
N -3.517720 -1.393334 0.832244
C 1.742376 1.156639 0.737670
C 3.006493 0.291233 0.868653
C -0.701057 1.125116 1.240116
C 3.123072 -0.780134 -0.217652
C -1.917598 0.399550 0.735305
C 1.670666 1.822449 -0.643097
C -2.518439 0.922396 -0.501304
C -2.411902 -0.708855 1.346909
C 4.042787 -1.879224 0.205388
C -4.168491 -0.992680 -0.379284
H 1.786686 1.974463 1.511513
H 3.902601 0.947550 0.839485
H 3.028867 -0.184606 1.875110
H 0.642832 -0.466773 1.450595
H -0.766040 1.291042 2.337036
H -0.655520 2.145694 0.767089
H 3.449603 -0.327034 -1.188702
H 2.125157 -1.211246 -0.475857
H -1.978263 -1.118723 2.268017
H -4.087262 0.470015 -1.870758
H -3.882230 -2.224058 1.304956
H 0.795694 3.456815 -1.373700
H 5.120534 -3.305273 -0.658936


%chk=000196474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196474

0 1
O 1.374658 3.399955 0.354444
O 2.912034 2.271300 -0.967848
O 4.316992 -2.562954 -1.385967
O -1.397808 -0.104575 -1.734115
O 5.011163 -1.909923 0.729706
O -5.414262 -1.927531 -0.151318
N 0.458804 0.463380 0.473850
N -3.395148 -0.987214 -0.913336
N -4.087525 -0.648004 1.300648
C 1.744916 1.061612 0.901910
C 2.868663 0.003574 0.964321
C -0.776549 1.214620 0.806942
C 3.088091 -0.773317 -0.348852
C -2.003263 0.354897 0.576790
C 2.121109 2.257636 0.003110
C -2.200762 -0.230689 -0.758881
C -2.947210 0.114081 1.545683
C 4.222550 -1.768112 -0.231582
C -4.379913 -1.242752 0.055777
H 1.594743 1.466634 1.920120
H 3.815007 0.492461 1.260275
H 2.607593 -0.706747 1.768756
H 0.444248 0.172257 -0.515650
H -0.726218 1.511036 1.871569
H -0.875774 2.156012 0.219406
H 3.326869 -0.079377 -1.176711
H 2.182406 -1.331602 -0.651302
H -2.849701 0.511319 2.559744
H -3.556329 -1.405137 -1.835728
H -4.778587 -0.816214 2.033855
H 1.585513 4.136362 -0.283538
H 5.083790 -3.190384 -1.285576


