%chk=000124589.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124589

0 1
 N   -1.202300     -0.5313000     -0.2444000    
 N    1.591400      -1.060800     -0.2996000    
 N   -4.353600      0.6259000       1.451400    
 C   -2.366000      0.3356000     -6.5800004E-02
 C   -3.192600     -0.2223000       1.150800    
 C   -3.202600      0.3238000      -1.384200    
 C   -1.846100       1.780600      0.2174000    
 C  -0.3657000     -5.2099999E-02  -1.357900    
 C  -0.4248000     -0.6185000       1.003200    
 C   0.8420000     -0.9725000      -1.553600    
 C   0.7953000      -1.535400      0.8357000    
 C   -3.682100      -1.669200      0.9888000    
 C   -3.785300      -1.023500      -1.803500    
 C   -2.908400       2.864600      0.3928000    
 C    2.791300     -0.3911000     -9.6100003E-02
 C    3.057800      0.8333000     -0.7412000    
 C    3.778800     -0.9158000      0.7616000    
 C    4.263000       1.505300     -0.5372000    
 C    4.983800     -0.2436000      0.9656000    
 C    5.225900      0.9669000      0.3163000    
 H   -2.610800     -0.1492000       2.073200    
 H   -2.657900      0.7682000      -2.223800    
 H   -4.066700      0.9898000      -1.276400    
 H   -1.251000       2.163600     -0.6151000    
 H   -1.226500       1.843300       1.115300    
 H   4.4700000E-02  0.9478000      -1.208500    
 H  -0.8895000     -7.2400004E-02  -2.316200    
 H  -0.9779000      -1.087900       1.819100    
 H  -3.9400000E-02  0.3426000       1.353300    
 H   0.4971000      -1.978100      -1.828900    
 H    1.464900     -0.6319000      -2.389100    
 H    1.364600      -1.559900       1.771800    
 H   0.4679000      -2.564200      0.6379000    
 H   -4.658200      -1.763300      0.5108000    
 H   -2.953700      -2.327400      0.5093000    
 H   -3.836600      -2.089300       1.992600    
 H   -4.768200      -1.205900      -1.367700    
 H   -3.970300     -0.9906000      -2.885100    
 H   -3.107900      -1.864800      -1.644600    
 H   -3.366100       2.841200       1.384400    
 H   -2.425700       3.847500      0.3212000    
 H   -3.684700       2.846000     -0.3741000    
 H   -4.840400      0.2605000       2.269700    
 H   -5.026100      0.5800000      0.6872000    
 H    2.331100       1.292000      -1.405700    
 H    3.622300      -1.865800       1.267700    
 H    4.451200       2.448900      -1.040900    
 H    5.735400     -0.6643000       1.627300    
 H    6.164400       1.490100      0.4749000    


%chk=000124589-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124589

0 1
N -1.245493 0.148642 -0.031065
N 1.662697 -0.007492 -0.086906
N -4.870409 -0.312114 1.100854
C -2.708857 0.538698 0.087612
C -3.385295 -0.421702 1.161617
C -3.404901 0.428849 -1.304343
C -2.809504 2.037352 0.577789
C -0.474760 0.736351 -1.152739
C -0.436939 0.318610 1.202968
C 0.855592 -0.018463 -1.328592
C 0.897702 -0.443187 1.095790
C -2.913895 -1.902693 1.130763
C -3.291559 -0.913187 -2.065004
C -4.177083 2.751010 0.475083
C 3.054566 -0.271925 -0.148604
C 3.845411 0.193806 -1.245418
C 3.730531 -0.974042 0.897073
C 5.235978 -0.024956 -1.283301
C 5.126109 -1.179262 0.850847
C 5.896523 -0.710780 -0.236039
H -3.110089 -0.010515 2.154771
H -3.016170 1.242492 -1.948007
H -4.469820 0.675420 -1.149564
H -2.064069 2.625098 0.001579
H -2.476643 2.074546 1.634819
H -0.248457 1.820564 -0.992712
H -1.039178 0.642309 -2.093569
H -0.986159 -0.072821 2.075644
H -0.206148 1.393425 1.402666
H 0.628294 -1.067880 -1.627974
H 1.420868 0.453214 -2.147508
H 1.487107 -0.227942 2.004574
H 0.693028 -1.539874 1.064425
H -3.252427 -2.411748 0.212755
H -1.816563 -1.999176 1.164969
H -3.347571 -2.439022 1.997327
H -3.961964 -1.686403 -1.648374
H -3.573971 -0.778191 -3.126075
H -2.264991 -1.317553 -2.025439
H -4.964057 2.146344 0.954150
H -4.124690 3.741428 0.967107
H -4.471532 2.923547 -0.576217
H -5.315974 -0.595497 1.981870
H -5.270448 -0.843183 0.316645
H 3.381399 0.754970 -2.062282
H 3.170960 -1.384280 1.742274
H 5.810437 0.354299 -2.136858
H 5.609953 -1.724152 1.670350
H 6.978264 -0.876531 -0.270030


