%chk=000104278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104278

0 1
 S   0.2054000      6.3500002E-02   2.257800    
 P   9.9399999E-02 -7.0400000E-02  0.3110000    
 O   -1.016600      0.8560000     -0.4265000    
 O  -0.2495000      -1.530900     -0.3042000    
 O    1.437300      0.3126000     -0.5235000    
 N   -1.728300       6.338500      0.1749000    
 N   -5.074600      -4.257600      0.1525000    
 N    6.552500      -1.710200      0.2945000    
 C   -1.191400       2.197600     -0.2790000    
 C   -1.436600      -2.202500     -0.1916000    
 C    2.696300     -0.1846000     -0.3219000    
 C  -0.1003000       3.014000      1.9200001E-02
 C   -2.490700      -1.626500      0.5100000    
 C    2.856900      -1.473700      0.1760000    
 C   -2.460900       2.756500     -0.4260000    
 C   -1.579600      -3.455000     -0.7797000    
 C    3.804800      0.6025000     -0.6166000    
 C   -1.548100       4.948000      2.3000000E-02
 C   -3.850600      -3.566500      3.7200000E-02
 C    5.255400      -1.196800      8.7700002E-02
 C  -0.2787000       4.389100      0.1701000    
 C   -3.700900      -2.310300      0.6247000    
 C    4.139900      -1.981000      0.3813000    
 C   -2.639200       4.131700     -0.2750000    
 C   -2.789900      -4.138800     -0.6649000    
 C    5.087800      9.4999999E-02 -0.4112000    
 H   0.9023000       2.618800      0.1335000    
 H   -2.431500     -0.6534000      0.9802000    
 H    2.015900      -2.116100      0.4082000    
 H   -3.314300       2.125000     -0.6575000    
 H  -0.7560000      -3.904200      -1.327300    
 H    3.678400       1.609200      -1.004700    
 H   0.5796000       5.015100      0.4007000    
 H   -4.520900      -1.853500       1.173100    
 H    4.257600      -2.989800      0.7688000    
 H   -3.633500       4.555200     -0.3920000    
 H   -2.894000      -5.117100      -1.127300    
 H    5.949000      0.7161000     -0.6438000    
 H  -0.9378000       6.930700      0.3921000    
 H   -2.648600       6.744300      6.9499999E-02
 H   -5.183400      -5.169000     -0.2723000    
 H   -5.843600      -3.843600      0.6624000    
 H    7.361700      -1.141600      8.2999997E-02
 H    6.674600      -2.646300      0.6573000    


%chk=000104278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104278

0 1
S 0.052135 -0.030887 2.220167
P -0.011652 -0.022235 0.164863
O -1.136924 1.049926 -0.652405
O -0.416764 -1.506332 -0.681881
O 1.436210 0.397689 -0.732754
N -1.541213 6.595011 0.379536
N -5.016281 -4.613481 0.402018
N 6.537117 -1.828319 0.272605
C -1.187671 2.441563 -0.331941
C -1.593465 -2.243817 -0.344307
C 2.695963 -0.199793 -0.419351
C -0.263633 3.331584 -0.922307
C -2.854274 -1.817888 -0.817884
C 2.975405 -1.523919 -0.823350
C -2.222275 2.920880 0.498423
C -1.463916 -3.447990 0.378921
C 3.681502 0.584054 0.215961
C -1.423544 5.222824 0.146817
C -3.885716 -3.830586 0.157337
C 5.268370 -1.290382 0.044762
C -0.381302 4.713530 -0.684290
C -3.992746 -2.605549 -0.566685
C 4.253126 -2.065849 -0.590843
C -2.342563 4.303882 0.734012
C -2.602162 -4.239761 0.624933
C 4.962400 0.044725 0.441818
H 0.534087 2.932944 -1.557148
H -2.928939 -0.876938 -1.372245
H 2.192678 -2.112922 -1.312437
H -2.920468 2.210818 0.952316
H -0.478058 -3.755356 0.741359
H 3.439481 1.605489 0.525678
H 0.333467 5.405980 -1.145336
H -4.971748 -2.275951 -0.935309
H 4.471369 -3.093739 -0.905112
H -3.148378 4.676777 1.377681
H -2.500459 -5.177275 1.184754
H 5.729618 0.655646 0.932641
H -0.881925 7.250619 -0.028445
H -2.272974 6.960447 0.981132
H -4.947068 -5.477005 0.931584
H -5.932493 -4.320608 0.076917
H 7.256464 -1.285622 0.740515
H 6.754518 -2.782184 0.000982


