%chk=000169328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169328

0 1
 S  -1.1700000E-02   1.400600      0.8530000    
 O  -0.7718000      0.5840000     -0.3416000    
 O   4.8099998E-02  0.5630000       2.038500    
 O  -0.5675000       2.743100      0.9019000    
 O    5.928200     -0.2814000     -0.7798000    
 N    5.137800      -2.808400     -6.9100000E-02
 N    5.793200      -3.671700     -0.1277000    
 C   -6.240700     -0.7910000     -0.1639000    
 C   -4.795300     -0.4278000     -0.2113000    
 C   -6.722600      -1.005400       1.304600    
 C   -6.518700      -2.111500     -0.9474000    
 C   -7.219600      0.2675000     -0.7726000    
 C   -3.838900      -1.302600      0.3039000    
 C   -4.399800      0.7875000     -0.7701000    
 C   -2.103700      0.2501000     -0.2982000    
 C   -2.486900     -0.9621000      0.2603000    
 C   -3.047800       1.127900     -0.8138000    
 C    1.644900       1.553000      0.2865000    
 C    2.522100      0.4598000      0.1968000    
 C    3.841800      0.6679000     -0.2702000    
 C    2.062900       2.832900     -7.8500003E-02
 C    2.118100     -0.8354000      0.5599000    
 C    4.245400       1.963100     -0.6336000    
 C    4.718700     -0.4255000     -0.3599000    
 C    3.360700       3.037600     -0.5377000    
 C    3.002700      -1.909900      0.4644000    
 C    4.300600      -1.705400      5.5999998E-03
 H   -7.791700      -1.244700       1.342600    
 H   -6.189800      -1.828100       1.794000    
 H   -6.558200     -0.1021000       1.904000    
 H   -5.981100      -2.963500     -0.5171000    
 H   -7.585300      -2.364100     -0.9374000    
 H   -6.204900      -2.016600      -1.993600    
 H   -8.260600     -7.0500001E-02 -0.7014000    
 H   -7.157000       1.224700     -0.2417000    
 H   -7.012000      0.4427000      -1.834600    
 H   -4.118700      -2.255100      0.7447000    
 H   -5.100200       1.504100      -1.184600    
 H   -1.744900      -1.646500      0.6613000    
 H   -2.743100       2.074400      -1.251100    
 H    1.408800       3.697700     -2.4300000E-02
 H    1.114400      -1.088000      0.8779000    
 H    5.246800       2.180400     -0.9987000    
 H    3.685400       4.034200     -0.8228000    
 H    2.665400      -2.905700      0.7409000    


%chk=000169328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169328

0 1
S 0.060873 1.248625 1.185333
O -0.766089 0.174596 -0.355552
O 0.136358 0.326938 2.528483
O -0.656815 2.708073 1.269476
O 6.118948 -0.087132 -1.090198
N 5.603856 -2.597395 -0.057300
N 6.532089 -3.290770 -0.254527
C -6.478904 -0.707595 -0.222332
C -4.959094 -0.433797 -0.249276
C -6.937835 -0.926197 1.252485
C -6.781193 -1.994739 -1.050817
C -7.302941 0.461607 -0.819727
C -4.057461 -1.403562 0.285102
C -4.404025 0.759651 -0.789573
C -2.132587 -0.002355 -0.277245
C -2.670101 -1.195621 0.288778
C -3.014710 0.983924 -0.801296
C 1.759665 1.468419 0.378014
C 2.691867 0.393953 0.305069
C 3.937462 0.701522 -0.354208
C 1.983184 2.747533 -0.142700
C 2.451843 -0.936110 0.838986
C 4.183430 1.996188 -0.881053
C 5.008135 -0.320822 -0.513323
C 3.222216 3.015027 -0.776934
C 3.404247 -1.923608 0.722732
C 4.662256 -1.652474 0.066699
H -8.023851 -1.133289 1.281663
H -6.418382 -1.779253 1.724125
H -6.739576 -0.027759 1.864644
H -6.252632 -2.876396 -0.646562
H -7.865843 -2.210263 -1.029742
H -6.473216 -1.867727 -2.104697
H -8.379264 0.216066 -0.770651
H -7.149287 1.401278 -0.257795
H -7.050961 0.642931 -1.881005
H -4.451520 -2.332968 0.710778
H -5.062436 1.528544 -1.202321
H -1.981498 -1.936938 0.707009
H -2.589624 1.905709 -1.211209
H 1.210753 3.517283 -0.043933
H 1.513456 -1.144240 1.357028
H 5.147559 2.169256 -1.369344
H 3.420342 4.011418 -1.182587
H 3.224807 -2.924328 1.127602


