%chk=000053351.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053351

0 1
 O   -2.866100      0.8044000      0.6593000    
 O    2.873800     -0.7829000     -0.7102000    
 N   -8.115500     -0.6353000     -0.4797000    
 N    8.105500      0.6031000      0.5681000    
 C  -0.5588000      0.5123000      8.9000002E-02
 C   0.5570000     -0.4913000     -0.1798000    
 C   -1.868000     -0.1821000      0.4359000    
 C    1.876400      0.2035000     -0.4847000    
 C   -4.160000      0.4499000      0.3780000    
 C    4.163600     -0.4418000     -0.3954000    
 C   -4.553400     -0.8767000      0.5106000    
 C    4.566100      0.8853000     -0.4905000    
 C   -5.064700       1.420200     -3.6600001E-02
 C    5.054900      -1.426000      1.5500000E-02
 C   -6.784100     -0.2701000     -0.1915000    
 C    6.778900      0.2513000      0.2433000    
 C   -5.870000      -1.237900      0.2249000    
 C    5.878300       1.233000     -0.1699000    
 C   -6.381400       1.059000     -0.3223000    
 C    6.367200      -1.078200      0.3360000    
 H  -0.2783000       1.183600      0.9104000    
 H  -0.7080000       1.156500     -0.7866000    
 H   0.2875000      -1.145100      -1.018600    
 H   0.6883000      -1.153100      0.6857000    
 H   -2.129200     -0.8404000     -0.4030000    
 H   -1.745500     -0.7817000       1.345400    
 H    2.124200      0.8415000      0.3737000    
 H    1.774900      0.8241000      -1.382500    
 H   -3.881500      -1.654900      0.8591000    
 H    3.905200       1.674600     -0.8349000    
 H   -4.754900       2.456200     -0.1396000    
 H    4.738100      -2.462300      8.9299999E-02
 H   -6.173600      -2.275700      0.3366000    
 H    6.189200       2.271400     -0.2519000    
 H   -7.084200       1.822600     -0.6459000    
 H    7.059500      -1.852400      0.6569000    
 H   -8.778400      6.5800004E-02 -0.7827000    
 H   -8.407700      -1.598900     -0.3862000    
 H    8.404800       1.566700      0.5002000    
 H    8.759200     -0.1084000      0.8667000    


%chk=000053351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053351

0 1
O -2.978124 0.811041 -0.143324
O 2.977933 -0.812620 0.142135
N -8.474100 -0.573405 -0.085319
N 8.473153 0.574649 0.085852
C -0.588749 0.495300 -0.068136
C 0.588529 -0.497058 0.067181
C -1.941137 -0.218262 0.003293
C 1.940860 0.216623 -0.004101
C -4.324640 0.381307 -0.116571
C 4.324245 -0.382314 0.115859
C -4.743719 -0.960744 0.045048
C 4.742604 0.959949 -0.045685
C -5.297457 1.398908 -0.266406
C 5.297544 -1.399411 0.265969
C -7.106953 -0.263169 -0.095032
C 7.106174 0.263661 0.095117
C -6.121381 -1.275588 0.054923
C 6.120094 1.275545 -0.055161
C -6.667506 1.084419 -0.256242
C 6.667424 -1.084174 0.256190
H -0.546033 1.255623 0.735458
H -0.526079 1.038788 -1.030683
H 0.545919 -1.257291 -0.736502
H 0.525790 -1.040651 1.029666
H -2.034237 -0.968941 -0.811005
H -2.060659 -0.740810 0.976878
H 2.033993 0.967062 0.810416
H 2.060300 0.739473 -0.977537
H -4.017856 -1.770740 0.164789
H 4.016283 1.769503 -0.165760
H -4.959701 2.432801 -0.390375
H 4.960299 -2.433486 0.389826
H -6.431138 -2.320445 0.181106
H 6.429314 2.320569 -0.181289
H -7.406478 1.886677 -0.373917
H 7.406801 -1.886031 0.374057
H -9.172632 0.155186 -0.191090
H -8.789998 -1.530835 0.030900
H 8.788569 1.532246 -0.030305
H 9.172049 -0.153556 0.191876


