%chk=000026747.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026747

0 1
 O    1.062500     -0.1048000      -1.666600    
 O   -1.937800       1.537200      -2.031300    
 N   -1.510700     -0.5949000      -1.210000    
 C  -6.3600004E-02  0.7283000      0.2676000    
 C   -1.309200     -0.1931000      0.1799000    
 C    1.287600      0.1416000     -0.2655000    
 C   -2.587700      0.4014000      0.7283000    
 C    2.455700       1.120000     -8.6900003E-02
 C    1.659000      -1.213000      0.3682000    
 C   -1.373300      -2.021700      -1.472800    
 C   -1.813700      0.3236000      -2.215800    
 C   -2.774900       1.771900      0.6715000    
 C   -3.543500     -0.4376000       1.275100    
 C    2.488100       1.902100       1.042400    
 C    2.282000      -2.147300     -0.4181000    
 C    3.420700       1.173000      -1.063600    
 C    1.349000      -1.418000       1.687700    
 C   -2.696300      -2.743700      -1.321800    
 C   -3.953600       2.320200       1.177200    
 C   -4.722300      0.1107000       1.780500    
 C    3.550100       2.791700       1.204800    
 C    2.618400      -3.373500      0.1554000    
 C    4.482900       2.062400     -0.9011000    
 C    1.685600      -2.644200       2.261300    
 C   -1.995500     -0.2317000      -3.606300    
 C   -4.927400       1.489500       1.731700    
 C    4.547600       2.871900      0.2330000    
 C    2.320200      -3.622000       1.495100    
 H   6.5000001E-03   1.033900       1.316700    
 H  -0.2265000       1.656900     -0.2923000    
 H   -1.109900      -1.087100      0.7805000    
 H  -0.9899000      -2.183300      -2.483800    
 H  -0.6329000      -2.464300     -0.8009000    
 H   0.9524000      0.7532000      -2.111500    
 H   -2.045100       2.464000      0.2701000    
 H   -3.389600      -1.507600       1.351100    
 H    1.757400       1.851800       1.839000    
 H    2.538100      -1.976900      -1.458300    
 H    3.400500      0.5467000      -1.949300    
 H   0.8787000     -0.6726000       2.317400    
 H   -2.620400      -3.752400      -1.741400    
 H   -3.517200      -2.225900      -1.825900    
 H   -2.965400      -2.860100     -0.2704000    
 H   -4.112000       3.394300       1.143700    
 H   -5.477400     -0.5352000       2.219100    
 H    3.605400       3.416500       2.091600    
 H    3.115500      -4.133800     -0.4400000    
 H    5.261500       2.122700      -1.656000    
 H    1.458500      -2.836000       3.306000    
 H   -2.742400      -1.026900      -3.626500    
 H   -1.039300     -0.5906000      -3.996000    
 H   -2.347900      0.5678000      -4.266400    
 H   -5.843900       1.916600       2.127900    
 H    5.375900       3.562700      0.3607000    
 H    2.583900      -4.575900       1.942300    


%chk=000026747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026747

0 1
O 1.399292 0.257044 -1.797325
O -1.109022 1.294554 -2.468423
N -1.489473 -0.761567 -1.428897
C -0.040523 0.729503 0.175639
C -1.218276 -0.267174 -0.030788
C 1.372628 0.303429 -0.323442
C -2.480115 0.316452 0.626480
C 2.462994 1.309068 0.136967
C 1.723479 -1.113240 0.177986
C -1.839656 -2.205015 -1.533943
C -1.468116 0.061298 -2.535118
C -3.149064 1.438781 0.070639
C -2.966028 -0.241818 1.834959
C 2.275194 2.284948 1.146480
C 1.786541 -2.206640 -0.718310
C 3.730324 1.229241 -0.498825
C 1.964768 -1.340983 1.557176
C -3.322886 -2.518859 -1.239877
C -4.288928 1.975483 0.707694
C -4.103358 0.299999 2.477254
C 3.327810 3.158147 1.512496
C 2.081207 -3.506450 -0.244371
C 4.781027 2.094023 -0.133201
C 2.248934 -2.639822 2.032833
C -1.847580 -0.530657 -3.890967
C -4.771018 1.410118 1.912147
C 4.585035 3.065200 0.878471
C 2.307968 -3.730446 1.132820
H 0.004669 0.856984 1.273524
H -0.292017 1.710861 -0.258775
H -0.947759 -1.182691 0.528844
H -1.572056 -2.562995 -2.541509
H -1.188229 -2.754483 -0.829846
H 0.765918 0.951676 -2.138597
H -2.771624 1.886684 -0.854988
H -2.449838 -1.104293 2.277248
H 1.309822 2.392947 1.651657
H 1.618765 -2.011247 -1.781205
H 3.870926 0.490642 -1.294326
H 1.955327 -0.498103 2.258641
H -3.502578 -3.605851 -1.334434
H -3.991658 -1.996312 -1.947268
H -3.605888 -2.208260 -0.220439
H -4.798896 2.840169 0.267866
H -4.467132 -0.143474 3.411122
H 3.160279 3.911311 2.291162
H 2.140342 -4.342160 -0.951684
H 5.751544 2.015495 -0.636560
H 2.437478 -2.799305 3.100732
H -2.775078 -1.127643 -3.861989
H -1.034321 -1.172152 -4.279952
H -1.980665 0.310864 -4.586728
H -5.654433 1.831249 2.405193
H 5.399498 3.740927 1.163148
H 2.538846 -4.736957 1.499911


