%chk=000200824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200824

0 1
S 3.293633 -0.014000 0.690955
O 3.727787 -0.190487 2.069470
O 4.300024 0.246417 -0.330502
N 0.348997 0.292310 -0.562079
N -3.342604 0.418734 -0.052842
N -5.700487 0.277244 0.035644
N -4.421098 -1.346083 1.254989
C 1.352340 1.401641 -0.612323
C 0.657769 -0.826285 -1.507184
C 2.171939 1.347702 0.678400
C 2.038643 -1.454514 -1.238331
C 2.423320 -1.481125 0.236922
C -1.055448 0.780464 -0.740714
C -1.977873 -0.097481 0.136768
C -4.392137 -0.177585 0.439998
H 0.852585 2.394812 -0.679013
H 2.019383 1.345737 -1.502486
H 0.597027 -0.519721 -2.574825
H -0.130242 -1.600620 -1.356392
H 2.725595 2.300167 0.810316
H 1.489263 1.311263 1.554596
H 2.027004 -2.492377 -1.633653
H 2.823862 -0.937794 -1.836028
H 1.519049 -1.627628 0.865185
H 3.045657 -2.373912 0.453647
H -1.401709 0.760665 -1.796373
H -1.141526 1.838941 -0.409362
H -1.889979 -1.167449 -0.158480
H -1.654395 -0.032211 1.199525
H -5.662690 0.942499 -0.737724
H -6.248635 0.669293 0.794114
H -5.322614 -1.682596 1.562321
H -3.701944 -1.433519 1.956462


%chk=000200824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200824

0 1
S 3.123928 -0.092186 0.932279
O 3.350759 -0.316612 2.536854
O 4.394705 0.097251 -0.095276
N 0.371174 0.394480 -0.849558
N -3.322808 0.516466 -0.054163
N -5.632012 0.236073 0.271083
N -4.183103 -1.197800 1.437243
C 1.397465 1.447068 -0.733645
C 0.695047 -0.758852 -1.712220
C 2.026244 1.482475 0.667342
C 1.973154 -1.520148 -1.269165
C 2.119349 -1.633879 0.247271
C -1.045885 0.821623 -0.880849
C -1.944067 0.016905 0.087090
C -4.303238 -0.125739 0.538600
H 0.958432 2.447986 -0.923599
H 2.202726 1.320227 -1.486240
H 0.807703 -0.470534 -2.786358
H -0.167976 -1.448655 -1.659539
H 2.760900 2.293500 0.811846
H 1.282301 1.446717 1.477347
H 1.950680 -2.536595 -1.708115
H 2.891822 -1.043991 -1.667599
H 1.176445 -1.611060 0.813526
H 2.776749 -2.455423 0.577634
H -1.483787 0.746903 -1.901667
H -1.116028 1.885028 -0.589267
H -1.857512 -1.073155 -0.144865
H -1.540941 0.157230 1.117478
H -5.741536 0.975097 -0.421473
H -6.328855 0.175238 1.011994
H -4.956452 -1.841980 1.584989
H -3.264887 -1.461156 1.782025


