%chk=000044712.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044712

0 1
 N   -3.067000      -1.374500      0.1870000    
 C  -0.1126000      0.8166000     -0.7670000    
 C  -0.3224000       1.894400      0.3591000    
 C    1.017900       2.434600      0.8712000    
 C    1.026300     -0.1621000     -0.4088000    
 C   -1.444300      3.9299998E-02 -0.9312000    
 C    1.819200       1.316500       1.516900    
 C    1.927300      9.5600002E-02  0.6449000    
 C   0.2365000       1.472800      -2.123500    
 C   -1.213700       3.080200     -3.6499999E-02
 C   -1.820300     -0.6412000      0.3703000    
 C    1.220800      -1.336500      -1.166600    
 C    2.946700     -0.8286000      0.9413000    
 C    2.244800      -2.238600     -0.8715000    
 C    3.105000      -1.987600      0.1876000    
 C   -4.153800     -0.4619000     -0.1730000    
 C   -3.410300      -2.119200       1.399800    
 H  -0.7759000       1.462400       1.252000    
 H   0.8586000       3.227600       1.612400    
 H    1.589900       2.885300      5.1100001E-02
 H   -1.384200     -0.6992000      -1.740300    
 H   -2.206100      0.7557000      -1.252800    
 H    1.347300       1.022400       2.462900    
 H    2.819900       1.698000       1.753600    
 H   0.3834000      0.7238000      -2.910700    
 H  -0.5617000       2.135000      -2.474500    
 H    1.160800       2.057500      -2.064200    
 H   -2.197500       2.754100     -0.3834000    
 H   -1.381700       3.732400      0.8285000    
 H  -0.7536000       3.695500     -0.8159000    
 H   -1.972300      4.7899999E-02   1.202100    
 H   -1.042000      -1.350400      0.6714000    
 H   0.5791000      -1.566300      -2.013100    
 H    3.629000     -0.6416000       1.767600    
 H    2.366800      -3.135500      -1.471700    
 H    3.899800      -2.688100      0.4246000    
 H   -4.222100      0.4001000      0.5008000    
 H   -5.117500     -0.9852000     -0.1359000    
 H   -4.071100     -0.1106000      -1.205800    
 H   -3.579600      -1.458700       2.258100    
 H   -2.612600      -2.824600       1.658500    
 H   -4.314500      -2.717600       1.241400    


%chk=000044712-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044712

0 1
N -3.105513 -1.460408 0.157892
C -0.106908 0.920807 -0.687598
C -0.171540 2.071077 0.387890
C 1.243677 2.551717 0.788253
C 0.990262 -0.117282 -0.317953
C -1.508065 0.225631 -0.811801
C 2.017752 1.416961 1.480291
C 1.990450 0.127185 0.669200
C 0.247194 1.495405 -2.095841
C -1.049771 3.274380 -0.027586
C -2.002155 -0.510021 0.452267
C 1.041964 -1.349817 -1.026294
C 2.987299 -0.853136 0.915630
C 2.031860 -2.319726 -0.772697
C 3.017551 -2.072153 0.210529
C -4.342142 -0.792411 -0.294225
C -3.362151 -2.367480 1.295111
H -0.621530 1.631014 1.303534
H 1.159603 3.420992 1.469367
H 1.795578 2.898987 -0.107448
H -1.480989 -0.518291 -1.630212
H -2.240757 0.993939 -1.124335
H 1.564197 1.231036 2.477189
H 3.067138 1.714257 1.670262
H 0.381955 0.673166 -2.821227
H -0.558639 2.150037 -2.474794
H 1.187301 2.074964 -2.076088
H -2.065452 2.973079 -0.341509
H -1.160346 3.969811 0.825472
H -0.591274 3.841744 -0.858052
H -2.309286 0.229337 1.238557
H -1.163512 -1.098968 0.868654
H 0.286977 -1.563894 -1.790825
H 3.752804 -0.645071 1.674626
H 2.035251 -3.258843 -1.337433
H 3.797396 -2.813702 0.417628
H -4.767928 -0.089631 0.469493
H -5.109678 -1.553844 -0.522400
H -4.152108 -0.219941 -1.217692
H -3.722218 -1.839101 2.215985
H -2.434829 -2.909125 1.553479
H -4.127118 -3.112981 1.011399


