%chk=000228246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228246

0 1
S 1.833368 -0.871851 -0.000177
O -2.571365 2.926906 0.000561
O -5.618686 -0.532938 -0.000010
N -0.877612 -1.427227 -0.000564
N -3.407826 -1.144185 -0.000642
N -4.079869 1.203259 0.000066
N -0.344549 0.808397 -0.000001
C -2.083077 -0.716761 -0.000545
C -1.736437 0.662766 -0.000190
C 0.149918 -0.434726 -0.000280
C -2.718830 1.729471 0.000075
C -4.460707 -0.156592 -0.000509
C -0.691024 -2.880779 -0.001170
C -3.788735 -2.574073 -0.001011
C -5.209025 2.176186 0.000734
C 2.648751 0.763214 -0.000260
C 4.103797 0.438074 -0.000121
C 4.792875 0.285072 -1.214332
C 4.792625 0.285002 1.214224
C 6.157274 -0.015279 -1.210446
C 6.157025 -0.015346 1.210602
C 6.841369 -0.165700 0.000144
H -1.137934 -3.337939 -0.903105
H 0.385701 -3.143299 -0.001227
H -1.138019 -3.338670 0.900355
H -3.418094 -3.082098 -0.905654
H -4.898949 -2.661200 -0.000915
H -3.417894 -3.082622 0.903257
H -5.838677 2.036739 0.895877
H -5.838836 2.037750 -0.894452
H -4.812084 3.209809 0.001279
H 2.328889 1.354748 0.883000
H 2.329018 1.354602 -0.883658
H 4.265093 0.400029 -2.160308
H 4.264648 0.399907 2.160099
H 6.688844 -0.131613 -2.153849
H 6.688400 -0.131737 2.154108
H 7.904635 -0.398295 0.000247


%chk=000228246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228246

0 1
S 1.820020 -1.182986 -0.001345
O -2.386884 2.913089 0.000658
O -5.709693 -0.414526 0.000205
N -0.982579 -1.549199 -0.001004
N -3.478158 -1.140749 -0.000208
N -4.030220 1.215181 0.000589
N -0.306568 0.645493 -0.000429
C -2.141639 -0.761566 -0.000420
C -1.710617 0.577676 -0.000083
C 0.098861 -0.625311 -0.000876
C -2.650673 1.680354 0.000474
C -4.478388 -0.117913 0.000439
C -0.829788 -3.014097 -0.001636
C -3.953366 -2.539627 -0.000597
C -5.097313 2.243846 0.000911
C 2.639503 0.565751 -0.001209
C 4.136543 0.400442 -0.000505
C 4.854518 0.323982 -1.222457
C 4.853348 0.324030 1.222136
C 6.259303 0.179009 -1.222944
C 6.258130 0.179060 1.223971
C 6.964877 0.105781 0.000853
H -1.276473 -3.464652 -0.902850
H 0.246444 -3.248166 -0.002260
H -1.275587 -3.465353 0.899669
H -3.617437 -3.074381 -0.905060
H -5.053147 -2.495290 -0.000156
H -3.616740 -3.075101 0.903180
H -5.732323 2.130987 0.894735
H -5.732551 2.131340 -0.892796
H -4.599407 3.224308 0.001032
H 2.248579 1.072092 0.893467
H 2.249404 1.071892 -0.896358
H 4.309159 0.381988 -2.172000
H 4.307077 0.382064 2.171152
H 6.802417 0.126735 -2.172970
H 6.800336 0.126824 2.174518
H 8.055033 -0.004005 0.001377


