%chk=000101413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101413

0 1
 S   -3.577900      5.9000002E-03   2.091000    
 S    3.576100      1.1000000E-02  -2.091400    
 P   -3.087500      7.1999999E-03  0.1898000    
 P    3.087500     -4.9000001E-03 -0.1899000    
 N   -1.456200      4.8000002E-03 -0.1179000    
 N   -3.657200      -1.301200     -0.6774000    
 N   -3.653600       1.318800     -0.6752000    
 N    1.456300     -3.0000000E-03  0.1192000    
 N    3.651700      -1.324800      0.6635000    
 N    3.660100       1.295100      0.6879000    
 C  -0.7099000       1.201500      0.2821000    
 C  -0.7154000      -1.199500      0.2696000    
 C   -4.971900      -1.807700     -0.3051000    
 C   -3.725100      -2.570900      3.4499999E-02
 C   -3.927900       2.531700      8.4600002E-02
 C   -5.045900       1.688500     -0.4551000    
 C   0.7154000       1.201200     -0.2681000    
 C   0.7100000      -1.199800     -0.2804000    
 C    3.923100      -2.531700     -0.1069000    
 C    5.043000      -1.695200      0.4393000    
 C    4.975600       1.802300      0.3191000    
 C    3.729900       2.570600     -1.3200000E-02
 H  -0.6836000       1.285800       1.375900    
 H   -1.199500       2.104500     -9.4899997E-02
 H   -1.196200      -2.097200     -0.1257000    
 H  -0.6920000      -1.299400       1.361900    
 H   -5.576400      -2.172200      -1.126300    
 H   -5.532600      -1.335200      0.4859000    
 H   -3.408000      -2.636400       1.063500    
 H   -3.497300      -3.447600     -0.5593000    
 H   -3.706400       3.458000     -0.4324000    
 H   -3.759000       2.577300       1.147800    
 H   -5.645900       1.115200      0.2353000    
 H   -5.574200       2.049500      -1.328100    
 H   0.6914000       1.301100      -1.360400    
 H    1.196900       2.098800      0.1267000    
 H    1.199000      -2.102800      9.7099997E-02
 H   0.6841000      -1.284500      -1.374100    
 H    3.753400      -2.568000      -1.170300    
 H    3.700300      -3.462000      0.4023000    
 H    5.571200      -2.064500       1.308700    
 H    5.643700      -1.117200     -0.2466000    
 H    5.534800       1.335500     -0.4764000    
 H    5.581300       2.158800       1.142900    
 H    3.503900       3.442700      0.5881000    
 H    3.412500       2.645500      -1.041500    


%chk=000101413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101413

0 1
S -3.678793 -0.586396 2.286904
S 3.678091 0.589107 -2.284927
P -3.028641 0.091401 0.405506
P 3.028770 -0.090558 -0.403998
N -1.337616 0.381445 0.288637
N -3.368505 -0.965313 -1.011867
N -3.771289 1.605474 -0.227856
N 1.334701 -0.359719 -0.280299
N 3.759468 -1.615471 0.218806
N 3.384459 0.955831 1.016765
C -0.720099 0.826800 -0.983519
C -0.397153 0.179013 1.406462
C -4.697134 -1.695385 -1.060075
C -3.420289 -2.459849 -0.766110
C -4.116333 2.676833 0.789702
C -5.222414 1.884129 0.120827
C 0.394207 -0.159177 -1.398403
C 0.717891 -0.806222 0.991884
C 4.096663 -2.682262 -0.806510
C 5.208559 -1.902258 -0.132571
C 4.716384 1.680385 1.057673
C 3.440189 2.451491 0.778956
H -0.286534 1.838870 -0.843936
H -1.494289 0.877072 -1.766817
H -0.953749 -0.211955 2.277769
H 0.064787 1.149372 1.683374
H -5.151559 -1.732178 -2.054363
H -5.387112 -1.558749 -0.216704
H -3.283548 -2.810851 0.265820
H -2.942681 -3.056369 -1.548649
H -3.887049 3.692974 0.456457
H -3.923061 2.457263 1.848310
H -5.745583 1.151474 0.750319
H -5.801482 2.321082 -0.697820
H -0.068634 -1.129338 -1.674740
H 0.950578 0.231373 -2.270038
H 1.492236 -0.854989 1.775128
H 0.285563 -1.819017 0.853050
H 3.904688 -2.453970 -1.863509
H 3.860174 -3.698968 -0.480072
H 5.784758 -2.349022 0.682816
H 5.736892 -1.169115 -0.757155
H 5.398338 1.545872 0.207423
H 5.179463 1.710406 2.048172
H 2.971989 3.045697 1.568917
H 3.296300 2.809366 -0.249638


