%chk=000045007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045007

0 1
 O   -1.866600      0.3791000      -2.075300    
 O    2.616100       2.343400      0.2846000    
 O    2.499400      -2.399200     -0.3737000    
 O    3.918900     -0.1008000      0.2373000    
 N   -2.483300      6.6500001E-02  0.1589000    
 C   -2.006400     -0.1518000       1.503000    
 C   -3.939100      0.1445000     -5.5999998E-03
 C   -1.564700      0.1918000     -0.8971000    
 C   -2.514400      -1.485600       2.034900    
 C   -2.421600      0.9989000       2.411200    
 C   -4.429500     -0.9728000     -0.9172000    
 C   -4.344100       1.512100     -0.5414000    
 C  -0.1260000      0.1147000     -0.5982000    
 C   0.5099000      -1.116800     -0.6273000    
 C   0.5684000       1.275500     -0.2943000    
 C    1.932600       1.202900     -1.2800000E-02
 C    1.874300      -1.189200     -0.3456000    
 C    2.585600     -2.9300001E-02 -3.8400002E-02
 C    3.203300       3.050200     -0.8061000    
 C    1.699100      -3.534700     -0.6967000    
 C    4.288100     -0.2994000       1.600000    
 H  -0.9188000     -0.2013000       1.560400    
 H   -4.442100      1.6700000E-02  0.9568000    
 H   -2.248300      -2.303300       1.355700    
 H   -3.598300      -1.512200       2.181300    
 H   -2.057800      -1.703400       3.007100    
 H   -3.502500       1.059900       2.569500    
 H   -1.961700      0.8858000       3.399500    
 H   -2.089100       1.958900       2.000700    
 H   -5.524000     -0.9757000     -0.9637000    
 H   -4.060800     -0.8699000      -1.942400    
 H   -4.108900      -1.952400     -0.5469000    
 H   -3.963000       2.314200      9.9699996E-02
 H   -5.435400       1.601800     -0.5755000    
 H   -3.970400       1.692500      -1.554000    
 H  -9.9100001E-02  -1.980200     -0.8726000    
 H   5.9799999E-02   2.235900     -0.2730000    
 H    3.717700       3.929000     -0.4076000    
 H    2.431200       3.384100      -1.506600    
 H    3.934500       2.421600      -1.323900    
 H    1.296100      -3.468900      -1.713200    
 H   0.9181000      -3.704600      5.2299999E-02
 H    2.357200      -4.409700     -0.6726000    
 H    3.933200      0.5297000       2.220100    
 H    5.379400     -0.3359000       1.657200    
 H    3.886600      -1.246500       1.974100    


%chk=000045007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045007

0 1
O -2.040257 -0.846271 -1.744152
O 2.251257 2.266129 0.933567
O 2.923092 -2.162245 -1.010423
O 4.001143 0.158472 0.134044
N -2.636450 0.081057 0.315524
C -2.315942 0.346674 1.755251
C -4.088271 0.107839 -0.078186
C -1.694984 -0.344983 -0.618576
C -2.990714 -0.686914 2.691471
C -2.661991 1.796551 2.170252
C -4.667217 -1.302745 -0.349393
C -4.333147 1.074922 -1.259741
C -0.216388 -0.200200 -0.321708
C 0.622619 -1.259852 -0.745826
C 0.362497 0.977888 0.199204
C 1.764887 1.083851 0.345137
C 2.021750 -1.163587 -0.601857
C 2.612846 0.001403 -0.019801
C 3.282591 3.015166 0.180694
C 2.364886 -3.324725 -1.710349
C 4.699364 -0.864376 0.945015
H -1.226920 0.213839 1.856592
H -4.614092 0.522334 0.802393
H -2.709652 -1.716817 2.409154
H -4.092888 -0.608628 2.672632
H -2.662149 -0.510796 3.732187
H -3.751467 1.982751 2.144309
H -2.315833 1.984541 3.202758
H -2.174135 2.530077 1.504628
H -5.757593 -1.227869 -0.520884
H -4.194449 -1.744426 -1.239995
H -4.499443 -1.974856 0.510805
H -3.958608 2.087199 -1.022671
H -5.417464 1.145270 -1.464280
H -3.826491 0.712298 -2.168039
H 0.153349 -2.123885 -1.222874
H -0.241698 1.845547 0.477694
H 3.525799 3.880743 0.815803
H 2.868967 3.362403 -0.785989
H 4.174391 2.390621 0.010507
H 1.828096 -3.015999 -2.626937
H 1.682036 -3.899844 -1.055882
H 3.235231 -3.942508 -1.976385
H 4.269349 -0.902360 1.963813
H 5.745344 -0.524780 0.991004
H 4.632350 -1.852807 0.462111


