%chk=000034412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034412

0 1
 O   -1.208600      0.9431000      0.7473000    
 O    2.590300       1.138600     -0.8148000    
 O   3.8800001E-02  0.2511000      -1.096400    
 O  -0.2959000      -2.542200       2.597600    
 O   0.1815000     -0.4353000       2.184300    
 N   -3.422700       1.138200     -0.8406000    
 N  -0.5446000      -1.446700       2.042700    
 C   -3.143300     -3.2499999E-02 -0.2369000    
 C   -3.963600      -1.168600     -0.4001000    
 C   -2.018700     -0.1479000      0.5755000    
 C   -1.698500      -1.347000       1.217000    
 C   0.6503000       2.243300      6.1500002E-02
 C   -3.641700      -2.374700      0.2452000    
 C    1.991800       2.232000     -0.2635000    
 C   -2.510800      -2.461900       1.051900    
 C    3.668100      0.5544000     -8.6700000E-02
 C   -5.095800      -1.052900      -1.217800    
 C    3.732200     -0.9119000     -0.3989000    
 C  -0.1819000       1.039600     -0.1896000    
 C   4.1099999E-02   3.349600      0.6208000    
 C    2.756200       3.373000     -1.9600000E-02
 C   -5.386200      0.1521000      -1.841200    
 C   -4.525000       1.207900      -1.621700    
 C   0.8055000       4.490700      0.8648000    
 C    2.163000       4.502400      0.5446000    
 C    3.015400      -1.813700      0.3797000    
 C    4.508200      -1.355800      -1.463800    
 C    3.075300      -3.176800      8.9800000E-02
 C    4.568100      -2.718900      -1.753900    
 C    3.851700      -3.629400     -0.9770000    
 H   -4.271300      -3.253200      0.1221000    
 H   -2.299700      -3.414000       1.531300    
 H    3.541700      0.6965000      0.9954000    
 H    4.606100       1.045400     -0.3736000    
 H   -5.757800      -1.901700      -1.373300    
 H   -1.016500       3.373700      0.8657000    
 H    3.812700       3.401000     -0.2718000    
 H   -6.257300      0.2591000      -2.476700    
 H   -4.701100       2.174200      -2.082800    
 H   0.3430000       5.371700       1.300300    
 H    2.757400       5.391900      0.7319000    
 H    2.419300      -1.473500       1.218900    
 H    5.068600     -0.6553000      -2.076700    
 H    2.519200      -3.885600      0.6963000    
 H    5.172200      -3.071300      -2.584800    
 H    3.898600      -4.690700      -1.202600    


%chk=000034412-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034412

0 1
O -1.411460 0.803350 0.298108
O 2.620283 0.763540 -0.573321
O 0.051644 -0.189581 -1.255652
O -0.438458 -3.308507 0.905703
O 0.129706 -1.183051 1.482936
N -3.933294 1.442833 -0.436717
N -0.696685 -2.044604 0.992617
C -3.674505 0.116008 -0.128722
C -4.692825 -0.910353 -0.172588
C -2.321911 -0.240612 0.242270
C -2.031971 -1.589015 0.541651
C 0.587772 1.989643 -0.229013
C -4.346151 -2.267920 0.124389
C 2.018459 1.982973 -0.301296
C -3.042739 -2.598949 0.466728
C 4.071859 0.610159 -0.327114
C -6.019694 -0.509152 -0.534071
C 4.384385 -0.872886 -0.327378
C -0.182585 0.757129 -0.492155
C -0.089744 3.194281 0.092797
C 2.734779 3.184099 -0.064529
C -6.275001 0.829337 -0.834643
C -5.195047 1.768771 -0.775912
C 0.626511 4.386094 0.317105
C 2.038320 4.373721 0.234810
C 3.479914 -1.800241 0.247925
C 5.610006 -1.334475 -0.865605
C 3.803283 -3.174200 0.281602
C 5.938485 -2.708683 -0.818393
C 5.034477 -3.632053 -0.244734
H -5.118413 -3.043252 0.078822
H -2.748386 -3.627253 0.690089
H 4.308939 1.068331 0.656704
H 4.645449 1.139668 -1.113651
H -6.816162 -1.260536 -0.573730
H -1.181805 3.171171 0.153859
H 3.826703 3.196890 -0.121035
H -7.275823 1.170561 -1.115774
H -5.370991 2.823732 -1.016875
H 0.093408 5.312176 0.552355
H 2.605259 5.295700 0.406124
H 2.519667 -1.453023 0.642469
H 6.308176 -0.624245 -1.327237
H 3.089256 -3.883174 0.714893
H 6.889113 -3.057291 -1.237661
H 5.283095 -4.699111 -0.216348


