%chk=000049035.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049035

0 1
 O  -0.5452000       2.266500     -0.5678000    
 O   -2.239600      -1.459700     -0.8342000    
 O  -0.8396000      0.5455000      -2.068000    
 N    2.617500       1.142400      0.3487000    
 C    2.513700     -3.6300000E-02   1.239600    
 C    3.230000      -1.248000      0.6097000    
 C    4.025500       1.477200      7.0699997E-02
 C    4.682800     -0.9382000      0.2729000    
 C    4.766300      0.3143000     -0.5853000    
 C    1.942500       2.322300      0.8970000    
 C    1.059100     -0.4364000       1.524900    
 C    1.588700       3.297400     -0.2212000    
 C   0.6439000       2.666200      -1.234900    
 C   -1.191200       1.187300      -1.090400    
 C   -2.413200      0.8744000     -0.3072000    
 C   -2.886500     -0.4344000     -0.2112000    
 C  -0.4970000      -3.096900     -0.6467000    
 C   -1.749000      -2.513000     -7.7000000E-03
 C   7.4800000E-02  -4.244800      0.1804000    
 C   -3.090600       1.909900      0.3366000    
 C   -4.037000     -0.7073000      0.5287000    
 C    1.299900      -4.853300     -0.4831000    
 C   -4.241200       1.636700       1.076300    
 C   -4.714500      0.3282000       1.172300    
 H    2.996900      0.1866000       2.201200    
 H    3.197900      -2.103400       1.295500    
 H    2.706600      -1.555000     -0.3055000    
 H    4.101100       2.327100     -0.6151000    
 H    4.546300       1.762200      0.9949000    
 H    5.251700     -0.7907000       1.198900    
 H    5.135900      -1.785800     -0.2529000    
 H    4.335400      0.1131000      -1.574300    
 H    5.816600      0.5848000     -0.7429000    
 H    2.564300       2.822900       1.650700    
 H    1.009700       2.076000       1.410300    
 H   0.5729000      0.2441000       2.229800    
 H    1.010600      -1.432600       1.978800    
 H   0.4700000     -0.4593000      0.6052000    
 H    2.474900       3.690200     -0.7286000    
 H    1.087300       4.159200      0.2379000    
 H   0.3727000       3.414000      -1.988400    
 H    1.135800       1.833500      -1.750600    
 H   0.2540000      -2.311200     -0.7851000    
 H  -0.7428000      -3.448200      -1.657100    
 H   -2.525000      -3.282400      7.5400002E-02
 H   -1.513200      -2.144800      0.9989000    
 H  -0.6849000      -5.023900      0.3129000    
 H   0.3477000      -3.884400       1.178900    
 H   -2.754600       2.941200      0.2698000    
 H   -4.423100      -1.720100      0.6056000    
 H    2.092000      -4.108000     -0.6047000    
 H    1.694500      -5.671300      0.1276000    
 H    1.052100      -5.255500      -1.470600    
 H   -4.770900       2.443300       1.574800    
 H   -5.611900      0.1162000       1.746100    


%chk=000049035-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049035

0 1
O -0.541214 2.301607 -0.563698
O -1.857950 -1.607783 -0.203718
O -0.438194 0.276239 -1.727234
N 3.089175 1.656123 0.420618
C 3.192085 0.355256 1.160956
C 4.199030 -0.571397 0.428824
C 4.416149 2.315081 0.281913
C 5.583995 0.079973 0.237373
C 5.424354 1.436237 -0.479651
C 2.082745 2.615340 0.947965
C 1.833545 -0.370190 1.274825
C 1.520010 3.535895 -0.162203
C 0.728954 2.751090 -1.210676
C -1.028614 1.026553 -0.916946
C -2.317921 0.756371 -0.210533
C -2.745960 -0.577315 0.089000
C -1.086087 -3.888889 -0.321057
C -2.256695 -2.998020 0.098399
C -1.376022 -5.386730 -0.068847
C -3.163747 1.839293 0.141636
C -4.011201 -0.789877 0.697445
C -0.196179 -6.289514 -0.488938
C -4.419704 1.627097 0.745305
C -4.840400 0.305759 1.015850
H 3.590386 0.537658 2.197095
H 4.292240 -1.512677 1.004883
H 3.768590 -0.826582 -0.560196
H 4.277392 3.272446 -0.253174
H 4.841118 2.565235 1.291821
H 6.059189 0.241755 1.227566
H 6.251338 -0.592336 -0.335149
H 5.052977 1.272695 -1.509822
H 6.395521 1.963951 -0.549607
H 2.508324 3.244912 1.768868
H 1.234670 2.059457 1.377796
H 1.129926 0.123518 1.967798
H 2.000220 -1.393502 1.659689
H 1.350852 -0.448935 0.284179
H 2.342237 4.068640 -0.679015
H 0.871480 4.309004 0.293930
H 0.446809 3.377378 -2.076741
H 1.294306 1.867125 -1.552214
H -0.182129 -3.578098 0.237120
H -0.873856 -3.716617 -1.392907
H -3.175688 -3.251727 -0.470342
H -2.468296 -3.098928 1.183940
H -2.286649 -5.687538 -0.626491
H -1.598911 -5.547533 1.006072
H -2.814949 2.852170 -0.076769
H -4.349800 -1.803322 0.928319
H 0.719719 -6.031479 0.074843
H -0.418994 -7.356225 -0.304449
H 0.028544 -6.170645 -1.565195
H -5.060571 2.477532 0.997949
H -5.815554 0.122267 1.481096


