%chk=000065756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065756

0 1
 S    1.545500       1.856300      2.1400001E-02
 O   -4.216800      0.2246000     -4.0300000E-02
 O    1.787700       2.582000      -1.221600    
 O    1.796800       2.514600       1.298300    
 N   -2.349000       1.562500     -2.8899999E-02
 N   2.0099999E-02   1.270100     -1.1500000E-02
 N   -2.222200     -0.8395000      2.5300000E-02
 N    4.964200      -3.008700     -3.2499999E-02
 N   -1.023700       3.416600      2.2700001E-02
 C    2.549000      0.4277000      5.7000001E-03
 C   -4.452800      -1.116600     -1.6100001E-02
 C   -3.240100      -1.758400      2.3399999E-02
 C    2.966400     -0.1181000      -1.208300    
 C    2.933700     -0.1679000       1.207000    
 C   -2.865400      0.2926000     -1.3100000E-02
 C    4.152600      -1.855100     -1.9900000E-02
 C    3.768100      -1.259500      -1.221100    
 C    3.735400      -1.309400       1.194200    
 C   -1.037800       2.035100     -1.0300000E-02
 C   -5.854400      -1.548600     -3.5999998E-02
 C   -2.957500      -3.200300      6.1500002E-02
 H    2.673200      0.3246000      -2.156000    
 H    2.614300      0.2335000       2.164500    
 H    4.085400      -1.676300      -2.173500    
 H    4.027100      -1.765500       2.136900    
 H   -3.052700       2.298400     -5.1700000E-02
 H   -5.935900      -2.639700     -1.4000000E-02
 H   -6.391000      -1.152200      0.8316000    
 H   -6.353900      -1.190600     -0.9414000    
 H   -1.879900      -3.390900      8.7099999E-02
 H   -3.401800      -3.657600      0.9511000    
 H   -3.366900      -3.697600     -0.8234000    
 H    5.265900      -3.405700     -0.9124000    
 H    5.242000      -3.441600      0.8383000    
 H  -0.1561000       3.941000      4.3800000E-02
 H   -1.882800       3.955500      2.5400000E-02


%chk=000065756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065756

0 1
S 1.484415 1.548856 0.834759
O -3.861884 -0.203053 -1.006945
O 1.915583 2.977720 0.101547
O 1.442641 1.485804 2.458361
N -2.345963 1.526516 -0.463011
N -0.140935 0.932968 0.116389
N -2.938438 -0.298459 1.094471
N 5.320839 -2.700706 -1.115542
N -0.791681 3.262911 -0.256681
C 2.644401 0.238846 0.218105
C -4.416282 -1.341322 -0.331887
C -3.834681 -1.396743 0.923719
C 3.290469 0.426211 -1.016212
C 2.865619 -0.888676 1.029056
C -2.975492 0.355897 -0.049557
C 4.433848 -1.725377 -0.672858
C 4.188841 -0.558926 -1.460758
C 3.763411 -1.872045 0.580268
C -1.022276 1.908011 -0.152745
C -5.428697 -2.140100 -1.080992
C -4.037165 -2.386557 2.031426
H 3.110234 1.334785 -1.599322
H 2.356872 -0.979775 1.993958
H 4.707715 -0.430119 -2.417653
H 3.950763 -2.758511 1.197040
H -2.807847 2.041727 -1.216098
H -5.760774 -2.992572 -0.465354
H -6.319448 -1.535981 -1.336014
H -5.015546 -2.540149 -2.025318
H -3.083954 -2.885221 2.283134
H -4.390530 -1.879730 2.947396
H -4.772994 -3.160239 1.754176
H 5.808569 -2.599646 -2.000932
H 5.507511 -3.528547 -0.557170
H 0.197577 3.575244 -0.200101
H -1.558023 3.922258 -0.132457


