%chk=000107970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107970

0 1
 O   -4.994700      -3.082200      -1.148700    
 O   -5.822500     -0.7507000       2.313300    
 N   -6.091000     -0.3993000      -1.352600    
 C   -5.509900     -0.9082000     -0.1014000    
 C   -4.004200     -0.5298000     -4.4900000E-02
 C   -3.689000      0.9791000     -0.1123000    
 C   -5.662300      -2.448600     -6.3600004E-02
 C   -6.317800     -0.2941000       1.060300    
 C    4.311300      0.9324000     -2.8700000E-02
 C    2.798500      0.7056000     -0.1090000    
 C    5.170300     -0.3306000      8.7499999E-02
 C   -2.221400       1.243900     -0.1264000    
 C    1.991300       2.004900     -0.1659000    
 C    6.674100     -4.8700001E-02  7.7399999E-02
 C   0.5075000       1.736200     -0.1519000    
 C    7.481400      -1.348600      0.1051000    
 C   -1.536500       1.314500      -1.339600    
 C   -1.533500       1.421100       1.074100    
 C  -0.1639000       1.562000      -1.352400    
 C  -0.1608000       1.668800       1.061200    
 C    8.984100      -1.069600      0.1283000    
 C    9.789000      -2.358000      0.1904000    
 H   -3.562400     -0.9441000      0.8718000    
 H   -3.478200      -1.024600     -0.8737000    
 H   -4.137200       1.430400      -1.005200    
 H   -4.139900       1.498400      0.7416000    
 H   -5.239100      -2.860100      0.8590000    
 H   -6.717000      -2.746000     -9.9699996E-02
 H   -6.276000      0.8003000       1.054400    
 H   -7.373800     -0.5840000      0.9959000    
 H    4.624600       1.491000     -0.9200000    
 H    4.526900       1.578500      0.8318000    
 H    2.487000      0.1170000      0.7636000    
 H    2.574500      9.1700003E-02 -0.9907000    
 H    4.903500     -0.8625000       1.009000    
 H    4.923700     -0.9997000     -0.7462000    
 H    2.258400       2.574000      -1.065500    
 H    2.254200       2.648800      0.6832000    
 H    6.935000      0.5243000     -0.8205000    
 H    6.934300      0.5708000      0.9440000    
 H   -7.057100     -0.7144000      -1.437700    
 H   -6.132700      0.6187000      -1.334400    
 H    7.233300      -1.956100     -0.7738000    
 H    7.203500      -1.933000      0.9907000    
 H   -2.060500       1.175600      -2.281600    
 H   -2.055000       1.366000       2.026000    
 H   0.3611000       1.612800      -2.302000    
 H   0.3667000       1.803200       2.001300    
 H    9.234700     -0.4487000      0.9964000    
 H    9.272000     -0.5068000     -0.7673000    
 H   -5.345600      -2.695000      -1.968800    
 H   -6.368900     -0.3384000       3.003800    
 H    9.585000      -2.990200     -0.6797000    
 H    10.86050      -2.135300      0.2049000    
 H    9.548400      -2.927900       1.093500    


%chk=000107970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107970

0 1
O -5.421267 -3.100960 -1.183153
O -5.569194 -0.690534 2.407043
N -6.311651 -0.564814 -1.281824
C -5.604611 -0.930961 -0.020692
C -4.102591 -0.553601 -0.128233
C -3.792609 0.935363 -0.449939
C -5.733502 -2.485077 0.100844
C -6.276475 -0.248001 1.194071
C 4.360539 0.982949 0.057539
C 2.840270 0.728754 -0.041778
C 5.199125 -0.314876 0.036970
C -2.302834 1.240075 -0.348599
C 2.006772 2.040754 -0.022397
C 6.721211 -0.060240 0.122833
C 0.510328 1.790055 -0.133313
C 7.562373 -1.356385 0.102200
C -1.510100 1.450674 -1.503682
C -1.666121 1.306527 0.918203
C -0.127061 1.720447 -1.397635
C -0.285691 1.578182 1.022764
C 9.084834 -1.100231 0.182276
C 9.917627 -2.400389 0.161323
H -3.637325 -0.807756 0.840589
H -3.636737 -1.201969 -0.893974
H -4.136558 1.191817 -1.472142
H -4.347075 1.587738 0.253922
H -5.026052 -2.877732 0.847515
H -6.769003 -2.742569 0.424525
H -6.226458 0.857082 1.089351
H -7.347778 -0.550425 1.229512
H 4.677745 1.637595 -0.781601
H 4.578761 1.546367 0.989325
H 2.513182 0.079098 0.795125
H 2.614674 0.171015 -0.973162
H 4.888079 -0.966116 0.880382
H 4.974580 -0.881495 -0.890832
H 2.345363 2.685528 -0.857798
H 2.231953 2.587997 0.914725
H 7.031113 0.590629 -0.721731
H 6.945873 0.507424 1.050324
H -7.336482 -0.590800 -1.219860
H -5.974001 0.289526 -1.733086
H 7.336699 -1.926383 -0.823528
H 7.256792 -2.006793 0.948572
H -1.980369 1.407076 -2.494336
H -2.260949 1.151071 1.827532
H 0.464675 1.886676 -2.306893
H 0.183462 1.633945 2.013484
H 9.309745 -0.530370 1.107073
H 9.389379 -0.450923 -0.664016
H -5.759834 -2.424317 -1.847028
H -6.047863 -0.369196 3.210685
H 9.732763 -2.973954 -0.766722
H 11.001582 -2.189778 0.218182
H 9.654591 -3.052918 1.015366


