%chk=000269107.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269107

0 1
S -3.342747 1.769187 -2.388582
P -2.409923 0.974874 -0.928138
O -1.627688 2.110342 -0.051134
O -3.245684 0.162262 0.233238
N -0.427682 -0.541389 -0.586609
N -1.267434 -0.173989 -1.598368
C 2.869828 -0.665749 0.383613
C 1.579882 -1.551837 0.371075
C 2.539064 0.828935 0.574694
C 3.726944 -0.841092 -0.887504
C 3.818643 1.672647 0.661370
C 5.016072 -0.011611 -0.798699
C 4.705522 1.474699 -0.575395
C 0.837122 -1.407294 1.712522
C 1.948843 -3.037293 0.183339
C 0.700139 -1.144960 -0.810406
C -1.197421 1.837044 1.314419
C -3.929102 -1.068394 -0.145678
C -2.357877 2.000953 2.275775
C -5.257818 -0.770213 -0.809911
H 3.482087 -1.000407 1.257738
H 1.910031 1.187479 -0.262659
H 1.937687 0.973960 1.490955
H 3.980983 -1.907369 -1.035116
H 3.151952 -0.531724 -1.780272
H 3.554674 2.741579 0.767271
H 4.384375 1.404763 1.574085
H 5.651093 -0.389743 0.025128
H 5.607944 -0.138499 -1.724140
H 4.199415 1.889834 -1.468136
H 5.645495 2.045642 -0.462756
H 0.422126 -0.394264 1.839752
H -0.014620 -2.095475 1.767623
H 1.492898 -1.615191 2.562094
H 1.051718 -3.665569 0.147420
H 2.566609 -3.398355 1.012745
H 2.509600 -3.213258 -0.740936
H 1.115697 -1.395813 -1.793383
H -0.961400 -0.132182 -2.590276
H -0.707572 0.842487 1.395713
H -0.436943 2.637021 1.436096
H -3.271963 -1.713615 -0.756940
H -4.060660 -1.529979 0.856133
H -3.062823 1.155382 2.221220
H -2.937317 2.906968 2.046114
H -2.013390 2.079193 3.312219
H -5.159515 -0.518205 -1.876416
H -5.756126 0.089655 -0.336863
H -5.940039 -1.624938 -0.739633


%chk=000269107-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269107

0 1
S -3.483524 1.442295 -2.910844
P -2.548034 1.007689 -1.126173
O -1.994171 2.378323 -0.252520
O -3.370105 0.188177 0.169203
N -0.367644 -0.492926 -0.433994
N -1.190847 -0.047527 -1.467093
C 3.004634 -0.807599 0.338172
C 1.682669 -1.686632 0.300427
C 2.767142 0.631500 0.873041
C 3.753974 -0.733312 -1.023222
C 4.085814 1.435697 0.979167
C 5.081030 0.055545 -0.907831
C 4.840773 1.483660 -0.368042
C 1.018879 -1.718683 1.701646
C 2.037378 -3.150402 -0.102669
C 0.722015 -1.145996 -0.751248
C -1.589662 2.291678 1.194652
C -3.937229 -1.169316 -0.079578
C -2.729530 2.780526 2.085907
C -5.394466 -1.083482 -0.540676
H 3.679981 -1.325505 1.057758
H 2.064939 1.160168 0.195596
H 2.286551 0.599707 1.868143
H 3.967722 -1.747540 -1.410487
H 3.109231 -0.227805 -1.772254
H 3.869343 2.461980 1.334852
H 4.738952 0.964571 1.743434
H 5.767788 -0.483194 -0.221872
H 5.581398 0.094921 -1.895078
H 4.239914 2.056405 -1.104507
H 5.802872 2.019417 -0.252139
H 0.589450 -0.743539 1.979375
H 0.193446 -2.452669 1.717547
H 1.761693 -2.013146 2.466582
H 1.141619 -3.794895 -0.038700
H 2.803161 -3.560437 0.582112
H 2.429018 -3.222268 -1.132881
H 0.991721 -1.340914 -1.810793
H -0.921117 -0.145002 -2.458753
H -1.284503 1.258259 1.434277
H -0.710639 2.958050 1.243893
H -3.303094 -1.706957 -0.811201
H -3.845811 -1.669365 0.899790
H -3.588115 2.091996 2.023421
H -3.056274 3.789388 1.780738
H -2.388460 2.829288 3.138135
H -5.472598 -0.578093 -1.518138
H -5.999525 -0.523559 0.192809
H -5.817059 -2.101979 -0.635584


