%chk=000174682.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174682

0 1
 S    5.485200      -1.504200     -0.7662000    
 O    1.514300       4.619900       2.346300    
 O    6.769700      -1.502400      -1.441200    
 O    5.378500      -1.080400      0.6158000    
 N  -0.6669000      0.6201000      0.4518000    
 N    1.677100       1.977300       1.329600    
 N   -4.506000     -0.8871000     -0.2949000    
 N    4.349300     -0.6696000      -1.755600    
 C   -1.968800      0.1091000      0.1986000    
 C   -2.766100      0.7002000     -0.7868000    
 C   -2.441400     -0.9805000      0.9370000    
 C   0.5888000      0.3109000     -8.7200001E-02
 C    1.747700      0.9731000      0.3383000    
 C   -4.046000      0.1623000      -1.003200    
 C   -3.734000      -1.452700      0.6530000    
 C    3.079800     -0.3379000      -1.192600    
 C    2.987900      0.6499000     -0.2121000    
 C   0.6912000     -0.6796000      -1.072200    
 C   -2.316600       1.796000      -1.543900    
 C   -1.661700      -1.594100       1.932900    
 C    1.931500      -1.002700      -1.622800    
 C   -4.844500      0.7463000      -1.982900    
 C   -4.210200      -2.537500       1.384800    
 C    2.826700       2.683900       1.799300    
 C   -3.134400       2.361800      -2.517500    
 C   -2.161100      -2.677000       2.650200    
 C   -4.401000       1.835500      -2.737200    
 C   -3.438100      -3.149400       2.375300    
 C    2.424300       3.668500       2.884000    
 C    4.844600      -3.159800     -0.8805000    
 H  -0.7015000       1.457900       1.021700    
 H    3.898300       1.160300      8.9100003E-02
 H  -0.1845000      -1.216100      -1.428400    
 H   -1.333600       2.235300      -1.395000    
 H  -0.6611000      -1.246800       2.176800    
 H   0.8053000       2.077000       1.833700    
 H    1.991600      -1.775000      -2.385200    
 H   -5.841000      0.3521000      -2.173900    
 H   -5.207800      -2.926100       1.188100    
 H    3.284400       3.242100      0.9738000    
 H    3.568000       1.994000       2.218400    
 H    4.301200     -0.9917000      -2.731600    
 H   -2.785400       3.208700      -3.100100    
 H   -1.557600      -3.148400       3.419800    
 H   -5.047400       2.269600      -3.494400    
 H   -3.837500      -3.993800       2.929400    
 H    3.300300       4.208500       3.255500    
 H    1.942900       3.167300       3.730400    
 H    4.803000      -3.453900      -1.930900    
 H    5.525600      -3.820800     -0.3395000    
 H    3.855800      -3.197300     -0.4207000    
 H   0.7303000       4.138200       2.033400    


%chk=000174682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174682

0 1
S 5.665492 -1.772768 -0.237246
O 1.594051 4.911337 1.421797
O 6.981190 -2.332841 -1.008870
O 5.771522 -0.683216 0.966489
N -0.616614 0.789549 0.091894
N 1.633652 1.990590 1.080791
N -4.586535 -0.848264 -0.225931
N 4.491051 -0.920436 -1.655812
C -1.898383 0.208816 -0.043857
C -2.953113 0.992077 -0.620068
C -2.194933 -1.103352 0.452186
C 0.628516 0.250410 -0.313646
C 1.811006 0.910192 0.177998
C -4.294593 0.418739 -0.658608
C -3.563971 -1.592116 0.304433
C 3.192125 -0.587685 -1.202275
C 3.074774 0.501342 -0.290834
C 0.752207 -0.839809 -1.209879
C -2.751774 2.302711 -1.179255
C -1.242398 -1.934947 1.138274
C 2.019861 -1.281162 -1.626971
C -5.373628 1.206881 -1.193426
C -3.885796 -2.914865 0.774167
C 2.799713 2.747890 1.591365
C -3.819753 3.034028 -1.695630
C -1.597799 -3.199923 1.600041
C -5.147378 2.486554 -1.690154
C -2.928078 -3.704588 1.401037
C 2.300970 4.000490 2.326507
C 4.718190 -3.289275 0.501197
H -0.598850 1.808847 0.214090
H 3.993667 0.985661 0.046015
H -0.151435 -1.328257 -1.585861
H -1.742378 2.726801 -1.240465
H -0.227113 -1.564871 1.304113
H 0.913658 1.816251 1.795741
H 2.103415 -2.130715 -2.315420
H -6.367604 0.749493 -1.193381
H -4.916010 -3.253343 0.628241
H 3.414163 3.061636 0.728961
H 3.441516 2.132461 2.259293
H 4.502031 -1.639478 -2.406190
H -3.645899 4.026857 -2.124261
H -0.860814 -3.815018 2.127968
H -5.976519 3.076596 -2.095136
H -3.186850 -4.706480 1.760387
H 3.155595 4.570831 2.725100
H 1.648043 3.710465 3.181387
H 4.699283 -4.058627 -0.282612
H 5.309666 -3.594835 1.375398
H 3.717556 -2.929758 0.778145
H 1.044402 4.350123 0.813274


