%chk=000226976.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226976

0 1
 S    1.398000      -2.155400      0.3463000    
 O    1.363400      -2.453600       1.765200    
 O    2.343900      -2.826800     -0.5238000    
 N  -0.1755000      -2.324700     -0.2927000    
 N   -1.202300      -1.525900      0.3517000    
 N    2.318100       3.686000     -0.2789000    
 C    1.671500     -0.4181000      0.1601000    
 C    1.309500      0.4359000       1.187000    
 C    2.242300      5.4099999E-02  -1.008800    
 C    2.099000       2.300400     -0.1308000    
 C    1.524800       1.806200       1.040300    
 C    2.457800       1.424500      -1.155300    
 C   -2.178100      -1.111000     -0.3996000    
 C   -3.231400       1.067500      0.2050000    
 C   -3.258900     -0.2765000      0.1933000    
 C   -2.330300      -1.442900      -1.864600    
 C   -4.294100       1.957000      0.7893000    
 C   -2.057500       1.803200     -0.3835000    
 H   0.8557000      7.1300000E-02   2.103300    
 H    2.520500     -0.6103000      -1.820900    
 H  -0.2861000      -2.585400      -1.278100    
 H    1.238800       2.478900       1.844900    
 H    2.904200       1.797800      -2.073400    
 H   -4.097000     -0.8217000      0.6155000    
 H   -2.407300      -2.526400      -1.992000    
 H   -3.233600     -0.9849000      -2.278500    
 H   -1.468700      -1.063800      -2.421600    
 H   -5.118800       1.371800       1.209300    
 H   -4.707800       2.614600      1.8200001E-02
 H   -3.877500       2.574200       1.591600    
 H   -2.400600       2.465500      -1.186000    
 H   -1.279900       1.164500     -0.8085000    
 H   -1.584000       2.421900      0.3864000    
 H    2.055100       4.322000      0.4621000    
 H    2.731700       4.045000      -1.129000    


%chk=000226976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226976

0 1
S 1.037564 -1.351763 0.479875
O 0.356529 -1.165294 1.950943
O 1.945816 -2.652479 0.092957
N -0.365688 -1.409044 -0.941470
N -1.458925 -0.691046 -0.539105
N 4.101645 3.698236 -0.813703
C 1.967491 0.200877 0.074728
C 1.656355 1.377708 0.780074
C 2.966409 0.148454 -0.915210
C 3.393805 2.539292 -0.519070
C 2.374494 2.547956 0.482329
C 3.681881 1.320888 -1.209126
C -2.676183 -0.978302 -1.004815
C -3.906816 0.734638 0.447206
C -3.832514 -0.193182 -0.569431
C -2.887100 -2.097788 -2.015013
C -5.223283 1.429849 0.737128
C -2.738797 1.129735 1.326047
H 0.884250 1.363832 1.555953
H 3.188183 -0.794456 -1.425000
H -0.478193 -2.443894 -1.083477
H 2.151814 3.474802 1.023384
H 4.468650 1.300805 -1.972006
H -4.754936 -0.402854 -1.128005
H -2.581805 -3.080192 -1.596269
H -3.944343 -2.179906 -2.310278
H -2.277697 -1.929772 -2.923952
H -6.028051 1.113482 0.051223
H -5.110301 2.529661 0.655389
H -5.551540 1.227596 1.776278
H -3.076869 1.735669 2.185595
H -1.998496 1.716623 0.747337
H -2.178448 0.248468 1.687254
H 3.906945 4.567650 -0.325352
H 4.833054 3.698650 -1.518917


