%chk=000212678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212678

0 1
O -0.105828 1.578780 -1.141126
O -1.145736 2.372403 0.703796
N 3.974976 -0.706168 0.547253
C 6.058273 -1.944844 0.073362
C 5.223485 -1.896821 -1.219465
C 5.133795 -1.413828 1.190916
C 3.845909 -1.328510 -0.813077
C 4.219383 0.777874 0.480571
C 3.067094 1.446726 -0.081905
C -1.777683 0.184473 -0.296240
C -1.200491 -0.823522 0.681937
C -3.269881 0.392192 -0.174615
C 0.920600 2.643662 -1.083831
C -1.032857 1.503595 -0.124121
C 2.106800 2.011580 -0.544931
C -2.020131 -1.618070 1.492380
C -3.813324 1.146180 0.876511
C 0.195510 -0.976714 0.743302
C -4.121381 -0.192336 -1.124139
C 1.067633 3.096623 -2.527906
C -1.446549 -2.552643 2.361702
C -5.196148 1.315593 0.972783
C 0.761920 -1.903395 1.618998
C -5.504866 -0.020978 -1.021161
C -0.058473 -2.696080 2.429794
C -6.044584 0.732240 0.025790
H 6.399837 -2.968812 0.295136
H 6.966942 -1.327874 -0.018868
H 5.706708 -1.261510 -1.979662
H 5.120871 -2.896818 -1.670937
H 4.697804 -2.254867 1.773068
H 5.671653 -0.773865 1.911726
H 3.447398 -0.619618 -1.561486
H 3.095002 -2.142425 -0.713343
H 5.137182 1.047594 -0.097979
H 4.378083 1.138184 1.530148
H -1.545722 -0.203704 -1.333467
H 0.544298 3.457476 -0.411714
H -3.104383 -1.513868 1.455071
H -3.148495 1.610075 1.611945
H 0.849886 -0.365968 0.114496
H -3.710751 -0.782524 -1.941382
H 1.275332 2.246271 -3.192622
H 0.144914 3.567738 -2.890067
H 1.887935 3.815937 -2.637369
H -2.089027 -3.167112 2.989980
H -5.612689 1.905295 1.788183
H 1.849114 -1.995744 1.669516
H -6.162515 -0.475773 -1.759897
H 0.383520 -3.418286 3.112111
H -7.121647 0.865586 0.103235


%chk=000212678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212678

0 1
O -0.159805 1.464200 -1.286773
O -1.006202 2.257307 0.742551
N 4.042239 -0.853504 0.438921
C 6.344707 -1.645265 0.100024
C 5.634790 -1.582849 -1.294148
C 5.168673 -1.554037 1.132406
C 4.113126 -1.401608 -0.952315
C 4.211873 0.637689 0.488040
C 3.085986 1.342289 -0.149497
C -1.868929 0.132601 -0.250160
C -1.330156 -0.889488 0.785843
C -3.361235 0.443827 -0.130963
C 0.923229 2.528626 -1.257257
C -1.009677 1.403449 -0.168616
C 2.124213 1.915952 -0.666354
C -2.197160 -1.646759 1.608798
C -3.884728 1.210073 0.942798
C 0.069270 -1.112768 0.877051
C -4.254163 -0.067686 -1.105362
C 1.095615 3.000327 -2.706487
C -1.674363 -2.607365 2.506426
C -5.271606 1.461228 1.030209
C 0.591728 -2.063862 1.778331
C -5.643496 0.178259 -1.015700
C -0.280086 -2.818829 2.597491
C -6.157013 0.945626 0.054210
H 6.925769 -2.574189 0.233158
H 7.044328 -0.799195 0.223573
H 6.013590 -0.736630 -1.894153
H 5.801171 -2.501933 -1.882478
H 4.823090 -2.571305 1.395892
H 5.438083 -1.035055 2.068250
H 3.576365 -0.740074 -1.651795
H 3.603996 -2.383075 -0.956767
H 5.164975 0.983268 0.014747
H 4.259370 0.927501 1.554825
H -1.685425 -0.294938 -1.253478
H 0.555144 3.342829 -0.603915
H -3.278748 -1.487384 1.554038
H -3.200666 1.617167 1.694051
H 0.765720 -0.543805 0.250867
H -3.859931 -0.663769 -1.937760
H 1.382278 2.158709 -3.358360
H 0.151213 3.433574 -3.076669
H 1.885264 3.770214 -2.757687
H -2.359758 -3.187093 3.135569
H -5.661790 2.059272 1.861558
H 1.678733 -2.194286 1.831997
H -6.319157 -0.225646 -1.778107
H 0.121197 -3.559161 3.299137
H -7.232944 1.140975 0.126440


