%chk=000289823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289823

0 1
S 0.015247 1.499980 0.168162
O -0.002112 -1.644832 0.177767
O 0.004547 2.387197 -0.978791
O 0.025317 2.113164 1.481956
O -5.027658 0.544913 -0.176738
N 5.068809 0.621224 -0.306878
C 1.361057 0.410376 0.051337
C -1.341280 0.419495 0.063766
C 1.212493 -0.968327 0.086194
C -1.206617 -0.958786 0.094563
C 2.651631 0.943859 -0.051109
C -2.629937 0.970917 -0.032731
C 2.311007 -1.852358 0.039869
C -2.315831 -1.840309 0.049218
C 3.767729 0.090049 -0.098413
C -3.725681 0.110573 -0.081913
C 3.585302 -1.317820 -0.048238
C -3.583947 -1.300168 -0.037337
H 2.791037 2.027418 -0.104171
H -2.766485 2.053498 -0.071976
H 2.138965 -2.928023 0.072158
H -2.146549 -2.916824 0.082759
H 4.451181 -1.979424 -0.093148
H -4.478400 -1.924759 -0.075039
H 5.189152 1.589993 -0.039278
H 5.829572 0.051008 0.037433
H -5.086749 1.533066 -0.206125


%chk=000289823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289823

0 1
S 0.004424 1.538835 0.662233
O -0.012125 -1.651950 0.661936
O 0.012035 2.821008 -0.355188
O -0.028543 1.830849 2.268839
O -5.007845 0.566557 -0.717311
N 5.033445 0.623566 -0.557295
C 1.419086 0.375740 0.270647
C -1.401556 0.381002 0.221096
C 1.225423 -1.014636 0.395661
C -1.229922 -1.011124 0.354987
C 2.659791 0.945231 -0.050818
C -2.631544 0.958647 -0.142552
C 2.345703 -1.857018 0.223032
C -2.351440 -1.850625 0.153924
C 3.785729 0.096931 -0.235907
C -3.736340 0.105609 -0.350933
C 3.604442 -1.312943 -0.075720
C -3.595682 -1.297441 -0.185728
H 2.740886 2.032960 -0.156879
H -2.700051 2.047321 -0.259441
H 2.204290 -2.937893 0.315139
H -2.220126 -2.931505 0.255814
H 4.460545 -1.984736 -0.205764
H -4.469627 -1.934347 -0.346550
H 5.166649 1.625043 -0.661899
H 5.840001 0.018068 -0.676221
H -5.025848 1.551952 -0.801806


