%chk=000031973.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031973

0 1
 N   -1.098700      0.2429000     -0.2733000    
 N    1.566800      0.3227000      0.8069000    
 N   -4.820000      0.3240000     -0.4939000    
 C  -6.3000000E-03 -0.4110000      -1.009900    
 C  -0.9036000      4.5200001E-02   1.171200    
 C   6.0400002E-02  -1.929200     -0.7410000    
 C  -0.8885000      -1.446900       1.565300    
 C    1.305100      0.3218000     -0.6382000    
 C   0.3976000      0.7830000       1.566900    
 C   8.0700003E-02  -2.296100      0.7428000    
 C   -2.427700     -0.1303000     -0.7420000    
 C    2.754600       1.106500       1.131600    
 C   -3.491200      0.6848000     -1.2100000E-02
 C    3.960800      0.6437000      0.3583000    
 C   -5.847800       1.101000      0.2006000    
 C   -5.060200      -1.109000     -0.3172000    
 C    4.777800     -0.3428000      0.8926000    
 C    4.238300       1.209700     -0.8782000    
 C   -5.617200       2.592900      2.9800000E-02
 C   -6.415200      -1.511300     -0.8742000    
 C    5.895100     -0.7718000      0.1762000    
 C    5.355500      0.7805000      -1.594700    
 C    6.183900     -0.2102000      -1.067400    
 H  -0.1550000     -0.2617000      -2.087600    
 H   -1.671900      0.5437000       1.767300    
 H  -0.8018000      -2.418600      -1.210600    
 H   0.9447000      -2.356800      -1.229400    
 H  -0.6410000      -1.549500       2.629000    
 H   -1.898800      -1.860200       1.453900    
 H    1.246200       1.351000      -1.019300    
 H    2.096400     -0.2004000      -1.185500    
 H   0.5788000      0.6321000       2.638500    
 H   0.2500000       1.862000       1.416300    
 H  -0.1651000      -3.357900      0.8638000    
 H    1.096900      -2.185800       1.137600    
 H   -2.503800      6.9499999E-02  -1.818700    
 H   -2.552100      -1.203200     -0.6005000    
 H    2.971400       1.027100       2.205200    
 H    2.590900       2.176300      0.9401000    
 H   -3.268500       1.740000     -0.2050000    
 H   -3.474400      0.5254000       1.069700    
 H   -6.835200      0.9040000     -0.2295000    
 H   -5.897100      0.8559000       1.269100    
 H   -4.360300      -1.711500     -0.9002000    
 H   -4.978600      -1.417600      0.7324000    
 H    4.560600     -0.7887000       1.859200    
 H    3.611900       1.992600      -1.296200    
 H   -4.794500       2.963600      0.6492000    
 H   -5.427000       2.859200      -1.015700    
 H   -6.513100       3.139600      0.3459000    
 H   -6.575500      -1.112800      -1.882000    
 H   -7.242300      -1.195800     -0.2308000    
 H   -6.475400      -2.603700     -0.9428000    
 H    6.539700      -1.543600      0.5864000    
 H    5.582500       1.220100      -2.561700    
 H    7.054100     -0.5438000      -1.624900    


%chk=000031973-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031973

0 1
N -1.191238 0.074395 -0.035591
N 1.577072 0.238976 0.787106
N -4.993538 0.322935 -0.146039
C -0.111340 -0.209640 -1.026223
C -0.780056 -0.474122 1.292143
C 0.122602 -1.739498 -1.210222
C -0.565132 -2.019985 1.249550
C 1.142386 0.584418 -0.591139
C 0.458025 0.326200 1.759475
C 0.413841 -2.465609 0.130228
C -2.569869 -0.251127 -0.466247
C 2.745028 1.036185 1.224650
C -3.595353 0.729422 0.150759
C 4.027402 0.709094 0.464605
C -5.914067 1.475616 -0.333380
C -5.508796 -0.683142 0.821040
C 4.373973 -0.635357 0.174983
C 4.918868 1.740150 0.079386
C -5.718237 2.180773 -1.689097
C -6.624334 -1.570219 0.234905
C 5.586123 -0.941333 -0.481022
C 6.136319 1.437983 -0.574190
C 6.474460 0.094896 -0.856472
H -0.431068 0.215319 -1.998258
H -1.588859 -0.255215 2.017059
H -0.790592 -2.168022 -1.672686
H 0.952052 -1.911226 -1.924261
H -0.203414 -2.372045 2.235698
H -1.552068 -2.500537 1.088388
H 0.891870 1.673685 -0.665393
H 1.979849 0.380779 -1.283614
H 0.813230 -0.060984 2.734725
H 0.129273 1.386860 1.906557
H 0.343527 -3.562220 -0.013906
H 1.443940 -2.230037 0.445382
H -2.629916 -0.158234 -1.566395
H -2.873200 -1.298442 -0.229113
H 2.899118 0.819113 2.301855
H 2.547138 2.137590 1.149226
H -3.404297 1.730140 -0.273692
H -3.416300 0.819376 1.251004
H -6.949967 1.092487 -0.285262
H -5.814101 2.219672 0.498253
H -4.661497 -1.332115 1.112141
H -5.868459 -0.195697 1.763929
H 3.675355 -1.429284 0.462123
H 4.657947 2.785314 0.289416
H -4.698077 2.592840 -1.793465
H -5.881729 1.465677 -2.514078
H -6.431411 3.019662 -1.797190
H -6.256723 -2.093675 -0.664777
H -7.511912 -0.979372 -0.055686
H -6.952144 -2.322430 0.976976
H 5.840577 -1.985175 -0.698983
H 6.814818 2.247703 -0.866524
H 7.415801 -0.141918 -1.365358


