%chk=000018999.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018999

0 1
 O   0.6281000      -2.154200      0.2271000    
 O    3.361400      -2.007700      0.2923000    
 O    4.641000      0.3785000     -0.2668000    
 O   -4.799400     -0.9042000       1.237500    
 O   -5.208300      -1.207100      -1.464100    
 N  -0.2327000       1.772100       2.306700    
 C   -1.146400       2.150600       1.217700    
 C  -0.4760000       3.165100      0.2568000    
 C   0.3380000       2.632600     -0.9298000    
 C    1.140200       1.396600     -0.6248000    
 C   -1.813600      0.9374000      0.5506000    
 C   0.4825000      0.1790000     -0.3528000    
 C   -1.007100      0.1237000     -0.3721000    
 C    1.238800     -0.9603000     -3.5599999E-02
 C    2.539800       1.447800     -0.5897000    
 C   -3.079800      0.6590000      0.9136000    
 C   -1.506500     -0.6450000      -1.359400    
 C    2.631600     -0.8945000     -4.9999999E-03
 C    3.280500      0.3063000     -0.2834000    
 C   -3.972400     -0.4329000      0.4593000    
 C   -2.878000     -0.8667000      -1.736900    
 C   -3.971000     -0.8337000     -0.9661000    
 C   0.2786000      -2.415100       1.583300    
 C    4.212100      -1.937200       1.433900    
 C    5.318700      0.1101000      -1.492500    
 H   -1.932300       2.730300       1.722800    
 H   0.1699000       3.832300      0.8453000    
 H   -1.256600       3.821900     -0.1519000    
 H   0.9943000       3.433800      -1.293300    
 H  -0.3325000       2.417500      -1.772500    
 H    3.056200       2.382100     -0.7976000    
 H   -3.551000       1.273800       1.680100    
 H  -2.4700001E-02   2.595800       2.871400    
 H   0.6653000       1.470000       1.935500    
 H  -0.8196000      -1.162900      -2.031200    
 H   -3.000900      -1.187100      -2.770900    
 H    1.174800      -2.461600       2.209700    
 H  -0.2254000      -3.384500       1.625700    
 H  -0.4045000      -1.651800       1.967700    
 H    4.226100      -2.924800       1.904400    
 H    3.854500      -1.212700       2.174100    
 H    5.233300      -1.695400       1.126600    
 H    6.394400      0.1906000      -1.313700    
 H    5.034700      0.8418000      -2.255400    
 H    5.097300     -0.9031000      -1.842600    
 H   -5.858300      -1.116600     -0.7461000    


%chk=000018999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018999

0 1
O 0.642138 -2.121436 0.214635
O 3.448187 -1.905715 0.271934
O 4.670636 0.649520 -0.426976
O -5.588388 0.634300 0.101504
O -5.286347 -1.345900 -1.429189
N -0.195033 1.438443 2.287509
C -1.139248 2.075519 1.339280
C -0.530415 3.221578 0.458464
C 0.169589 2.722310 -0.838075
C 1.041609 1.503913 -0.592152
C -1.871507 1.031411 0.458539
C 0.424781 0.245495 -0.311057
C -1.072871 0.108187 -0.322236
C 1.256644 -0.879084 -0.023935
C 2.449522 1.605962 -0.624599
C -3.270464 1.110724 0.515869
C -1.573200 -0.930786 -1.134590
C 2.675309 -0.758211 -0.011356
C 3.265278 0.487578 -0.363074
C -4.328155 0.358200 -0.103921
C -2.896269 -1.347710 -1.435842
C -4.100664 -0.799493 -1.003311
C 0.777083 -2.668743 1.581225
C 4.390720 -1.766288 1.410494
C 5.322609 -0.128131 -1.509581
H -1.911859 2.547525 1.972119
H 0.187431 3.778736 1.091691
H -1.333727 3.928230 0.170458
H 0.770906 3.545063 -1.265141
H -0.610549 2.472533 -1.582599
H 2.936332 2.554256 -0.873853
H -3.682461 1.891418 1.170947
H -0.213175 1.848120 3.224468
H 0.752169 1.290680 1.932615
H -0.802405 -1.530731 -1.630524
H -2.994206 -2.207446 -2.109841
H 1.822711 -2.959672 1.781044
H 0.131351 -3.559730 1.597895
H 0.420533 -1.928643 2.322340
H 4.938349 -2.720134 1.449052
H 3.829771 -1.614109 2.352863
H 5.083537 -0.922729 1.249650
H 6.400172 0.068981 -1.403796
H 4.968557 0.228038 -2.495093
H 5.112873 -1.207885 -1.403477
H -5.992752 -0.754545 -0.972478


