%chk=000090158.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090158

0 1
 O   -2.234400      -3.782700      4.8900001E-02
 O  -0.6710000       2.013500     -0.3746000    
 O   -4.101900      -2.019800      0.3414000    
 O    6.804600      0.6556000      0.3889000    
 N    1.357100      0.4031000     -0.7010000    
 C  -0.9642000     -0.3360000     -0.2651000    
 C   -1.863400      -1.387800     -7.7200003E-02
 C   0.3886000     -0.6076000     -0.5018000    
 C   -2.859500       1.337600      3.4699999E-02
 C   -3.758500      0.2857000      0.2230000    
 C   -1.429600       1.065200     -0.2164000    
 C   -3.293300      -1.115400      0.1740000    
 C   -1.409700      -2.711300     -0.1266000    
 C   0.8366000      -1.928100     -0.5500000    
 C  -6.0699999E-02  -2.977700     -0.3629000    
 C   -3.313300       2.661100      8.3400004E-02
 C   -5.111500      0.5574000      0.4598000    
 C    2.734200      0.4674000     -0.4248000    
 C   -4.662300       2.927400      0.3196000    
 C   -5.559500       1.877800      0.5073000    
 C    3.574600       1.246200      -1.224300    
 C    3.269000     -0.2480000      0.6495000    
 C    4.941000       1.309100     -0.9515000    
 C    4.635400     -0.1850000      0.9225000    
 C    5.471500      0.5934000      0.1219000    
 C    7.280100     -0.1010000       1.501200    
 H    1.872300      -2.178500     -0.7624000    
 H   0.9967000       1.226000      -1.174600    
 H   0.2974000      -4.002900     -0.4091000    
 H   -2.636000       3.498800     -5.9599999E-02
 H   -5.832100     -0.2419000      0.6096000    
 H   -5.013700       3.954400      0.3571000    
 H   -6.609200       2.088000      0.6910000    
 H    3.174100       1.808000      -2.064500    
 H    2.638700     -0.8418000       1.306100    
 H   -3.145400      -3.492900      0.2063000    
 H    5.587400       1.917100      -1.578500    
 H    4.980000     -0.7607000       1.774700    
 H    6.846400      0.2524000       2.442900    
 H    8.360700      6.3299999E-02   1.565500    
 H    7.128500      -1.175400       1.351600    


%chk=000090158-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090158

0 1
O -2.364422 -3.761752 0.077285
O -0.674435 2.122245 -0.270559
O -4.222536 -2.118388 0.160940
O 6.954539 0.698194 0.144366
N 1.312802 0.476699 -0.235954
C -1.003945 -0.269921 -0.103876
C -1.949081 -1.354945 -0.015294
C 0.407494 -0.565728 -0.161040
C -2.947394 1.355562 -0.032686
C -3.876162 0.274560 0.070991
C -1.485705 1.109804 -0.140326
C -3.387047 -1.113981 0.074536
C -1.495780 -2.710788 -0.010364
C 0.823413 -1.947237 -0.195995
C -0.096756 -2.985795 -0.124706
C -3.431629 2.688555 -0.040304
C -5.267079 0.540249 0.164945
C 2.727688 0.441654 -0.116795
C -4.812597 2.943737 0.056656
C -5.734046 1.867167 0.159141
C 3.483197 1.377517 -0.880436
C 3.415121 -0.414016 0.782260
C 4.879504 1.439255 -0.764172
C 4.821428 -0.366112 0.895119
C 5.560487 0.559487 0.116693
C 7.707157 -0.180806 1.043106
H 1.884004 -2.178073 -0.323361
H 0.825378 1.406702 -0.332129
H 0.220742 -4.031515 -0.170342
H -2.701956 3.499551 -0.123330
H -5.951883 -0.309836 0.240666
H -5.178866 3.976016 0.052286
H -6.807476 2.071255 0.232857
H 2.962390 2.048377 -1.572285
H 2.852729 -1.090296 1.433549
H -3.331685 -3.334152 0.133696
H 5.466090 2.152998 -1.349927
H 5.319126 -1.034594 1.603860
H 7.427554 -0.009375 2.100832
H 8.762358 0.088460 0.890912
H 7.552982 -1.246733 0.785186


