%chk=000227013.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227013

0 1
 S    3.140400       1.521300     -0.7228000    
 O    4.434400       1.938200     -0.2184000    
 O    2.814700       1.675100      -2.127700    
 N    1.910200       2.244800      0.2138000    
 N   0.5667000       1.754200     -3.4000002E-02
 N    2.492700      -4.217600      0.6911000    
 C    2.947200     -0.1859000     -0.3022000    
 C    2.096500     -0.9746000      -1.056200    
 C    3.650900     -0.6993000      0.7726000    
 C    2.645800      -2.856400      0.3558000    
 C    1.944600      -2.321000     -0.7244000    
 C    3.499100      -2.045700       1.104400    
 C  -0.3872000       2.254400      0.6939000    
 C   -3.370600     -7.2099999E-02 -7.7999998E-03
 C   -1.792700       1.788400      0.5095000    
 C   -2.030500      0.5126000      0.1727000    
 C   -4.450600      0.7643000     -0.2403000    
 C   -3.525600      -1.447500      5.7599999E-02
 C  -0.1808000       3.329100       1.737100    
 C   -5.719400      0.2108000     -0.4119000    
 C   -4.794400      -2.001100     -0.1140000    
 C   -5.891200      -1.172000     -0.3487000    
 H    1.537700     -0.5750000      -1.896800    
 H    4.313400     -8.2900003E-02   1.372400    
 H    1.275300      -2.942000      -1.314300    
 H    4.049700      -2.450900       1.949500    
 H    2.136600       2.573000       1.159500    
 H   -2.570600       2.514300      0.7119000    
 H   -1.201800     -0.1778000      3.1099999E-02
 H   -4.359700       1.843200     -0.3182000    
 H   -2.681200      -2.106700      0.2407000    
 H   0.3041000       4.197800       1.282700    
 H   -1.131700       3.653500       2.168800    
 H   0.4447000       2.939300       2.545300    
 H    3.000200      -4.606100       1.474900    
 H    1.873400      -4.805800      0.1495000    
 H   -6.573200      0.8555000     -0.5995000    
 H   -4.928500      -3.077800     -6.4900003E-02
 H   -6.878900      -1.603100     -0.4835000    


%chk=000227013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227013

0 1
S 3.146416 1.305082 -1.027054
O 4.499343 1.996476 -0.435518
O 2.813748 1.207893 -2.606243
N 1.776420 2.449122 -0.235584
N 0.559082 1.853405 -0.147581
N 2.493470 -4.189692 1.427503
C 2.939611 -0.384911 -0.271404
C 2.036327 -1.286980 -0.865856
C 3.701555 -0.708118 0.867415
C 2.641689 -2.929077 0.864802
C 1.890019 -2.561275 -0.294436
C 3.554093 -1.985671 1.432155
C -0.359648 2.300360 0.710842
C -3.422956 0.093876 -0.272993
C -1.683806 1.675087 0.701265
C -2.117447 0.762165 -0.230227
C -4.421703 0.244940 0.736478
C -3.718551 -0.757463 -1.379321
C -0.077564 3.458959 1.653050
C -5.658243 -0.420724 0.635784
C -4.956860 -1.424421 -1.480190
C -5.935476 -1.259572 -0.472478
H 1.478509 -0.998149 -1.761616
H 4.412200 0.016812 1.278295
H 1.192805 -3.279698 -0.740342
H 4.147126 -2.263311 2.311143
H 2.229918 2.884590 0.598059
H -2.356324 2.001370 1.505093
H -1.414919 0.513644 -1.037839
H -4.227462 0.881880 1.606796
H -2.964612 -0.883939 -2.166301
H 0.145790 4.382560 1.083808
H -0.938334 3.659869 2.309530
H 0.800137 3.257736 2.302881
H 3.028144 -4.463047 2.247198
H 1.848143 -4.866545 1.030025
H -6.411214 -0.290442 1.421549
H -5.160497 -2.069059 -2.342593
H -6.899229 -1.775235 -0.546891


