%chk=000045021.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045021

0 1
 O    1.312100      -1.048600     -0.5620000    
 O    3.624800      -1.732100      0.7901000    
 O   3.9799999E-02   2.721200     -0.6679000    
 N   0.1553000      0.7899000      -1.947500    
 N   -2.482400       1.083200     -0.8203000    
 C  -0.4978000      -2.615300     -0.4194000    
 C   0.2820000      -1.524400      0.3007000    
 C   -1.631300      -3.161300      0.4441000    
 C   -3.690100       1.331900       1.247100    
 C    2.128100     -7.1999997E-02 -7.1000002E-02
 C    1.825500       1.265000     -0.2329000    
 C   -1.009100       1.047000      -2.751100    
 C   -3.023600      0.4990000       2.339100    
 C   -3.509700      0.7176000     -0.1300000    
 C   -2.268900      0.4753000      -2.124400    
 C   0.5903000       1.661900     -0.9567000    
 C    3.293300     -0.4231000      0.6108000    
 C   -2.434300      -4.219900     -0.2947000    
 C    2.639800       2.266200      0.2585000    
 C    4.131700      0.5705000       1.116400    
 C   -3.186400       1.106700       3.725000    
 C   -4.521200     -0.3120000     -0.5750000    
 C    3.804900       1.915100      0.9402000    
 C    4.427100      -2.341700     -0.2193000    
 H  -0.8820000      -2.234700      -1.370500    
 H   0.1901000      -3.427000     -0.6889000    
 H   0.7268000      -1.926700       1.218900    
 H  -0.3860000     -0.6996000      0.5716000    
 H   -2.300000      -2.345900      0.7411000    
 H   -1.222500      -3.594900       1.364100    
 H   -3.259700       2.340600       1.235200    
 H   -4.761700       1.442100       1.447300    
 H  -0.8373000      0.5903000      -3.731100    
 H   -1.112000       2.128600      -2.894400    
 H   -3.443600     -0.5139000       2.338600    
 H   -1.955000      0.3919000       2.119400    
 H   -3.112100      0.6920000      -2.790600    
 H   -2.173000     -0.6101000      -2.037300    
 H   0.6846000     -5.0400000E-02  -2.156800    
 H   -3.240600      -4.597000      0.3423000    
 H   -1.800500      -5.066200     -0.5782000    
 H   -2.884200      -3.807300      -1.203400    
 H    2.404100       3.318000      0.1253000    
 H   -2.694500      0.4792000       4.474800    
 H   -2.738900       2.104700       3.768600    
 H   -4.244500       1.191800       3.991900    
 H    5.040800      0.3045000       1.648900    
 H   -4.026100      -1.267800     -0.7612000    
 H   -5.018100      2.9300001E-02  -1.486900    
 H   -5.280200     -0.4630000      0.1971000    
 H    4.458600       2.688500       1.332800    
 H    5.394400      -1.835500     -0.2979000    
 H    3.912400      -2.321500      -1.185100    
 H    4.599400      -3.383800      6.3100003E-02


%chk=000045021-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045021

0 1
O 1.421121 -0.621056 -0.376592
O 3.941297 -1.657408 0.536902
O 1.357741 3.326486 -2.081750
N 0.125773 1.427309 -1.588047
N -2.511685 0.370159 -0.869594
C -0.114201 -2.094628 0.803088
C 0.994276 -1.059336 0.996549
C -0.661626 -2.613197 2.154255
C -3.844266 -0.002574 1.127079
C 2.594251 0.173115 -0.457068
C 2.540754 1.469948 -1.045299
C -1.115270 2.022879 -2.092395
C -4.992285 -1.049676 1.150805
C -3.632025 0.625644 -0.242838
C -2.233504 0.964802 -2.199827
C 1.300114 2.141365 -1.606378
C 3.844227 -0.355093 -0.017907
C -1.742570 -3.699481 1.964541
C 3.738915 2.227540 -1.126001
C 5.015015 0.425211 -0.087838
C -5.233007 -1.617621 2.566070
C -4.772639 1.503848 -0.770408
C 4.959492 1.726122 -0.636557
C 3.707651 -2.750271 -0.435654
H -0.933839 -1.640937 0.211844
H 0.286674 -2.944913 0.216802
H 1.870351 -1.477875 1.523044
H 0.627170 -0.163813 1.536093
H -1.084196 -1.765732 2.732627
H 0.169814 -3.022203 2.763720
H -2.899191 -0.479883 1.441483
H -4.080658 0.796728 1.860840
H -0.921877 2.472023 -3.085070
H -1.439502 2.851795 -1.430354
H -5.928676 -0.591999 0.774475
H -4.740382 -1.871851 0.452475
H -3.110893 1.439810 -2.686696
H -1.884699 0.145920 -2.858073
H 0.121975 0.492255 -1.157399
H -2.133738 -4.055264 2.935460
H -1.332787 -4.573120 1.424017
H -2.593693 -3.310862 1.374405
H 3.660059 3.221685 -1.577615
H -6.040981 -2.371817 2.562953
H -4.319983 -2.101715 2.959579
H -5.520161 -0.815874 3.272257
H 5.950208 -0.009760 0.279320
H -5.295982 1.019323 -1.617030
H -4.402451 2.481290 -1.128379
H -5.517211 1.690318 0.020741
H 5.867721 2.334699 -0.695106
H 4.480776 -2.725802 -1.227005
H 2.703305 -2.667753 -0.889482
H 3.793896 -3.682455 0.143437


