%chk=000002372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002372

0 1
 O   -2.603300      -1.544900     -0.2881000    
 O   -5.095200     -0.4214000      0.2214000    
 O    2.105800      0.5651000       2.192800    
 O    3.713000     -6.8200000E-02  1.5699999E-02
 N   -2.254800       1.947900      5.0799999E-02
 C   -3.485700       1.269700     -0.3320000    
 C   -3.905800      0.2161000      0.6958000    
 C   -1.847600       2.903900     -0.9699000    
 C  -0.5494000       3.608300     -0.5740000    
 C   0.5854000       2.628200     -0.4139000    
 C   -2.842500     -0.8538000      0.9340000    
 C   0.8278000       2.039100      0.8271000    
 C    1.392700       2.310900      -1.506300    
 C    1.877500       1.132600      0.9756000    
 C    2.442500       1.404600      -1.357700    
 C    2.684900      0.8155000     -0.1167000    
 C   -1.339700      -2.036200     -0.4799000    
 C  -0.5690000      -2.426000      0.6154000    
 C   0.7184000      -2.925700      0.4198000    
 C  -0.8229000      -2.146300      -1.770900    
 C    1.235200      -3.035800     -0.8711000    
 C   0.4646000      -2.646100      -1.966500    
 C    1.542700      -3.342200       1.590600    
 C    1.235100      0.9425000       3.257500    
 C    4.490300     -0.3377000      -1.149500    
 H   -3.371600      0.7906000      -1.313200    
 H   -4.303000       1.994100     -0.4449000    
 H   -4.149900      0.7068000       1.645500    
 H   -2.627100       3.662300      -1.111000    
 H   -1.704600       2.391400      -1.929600    
 H  -0.6869000       4.175900      0.3556000    
 H  -0.2884000       4.350700      -1.338800    
 H   -2.385600       2.424000      0.9427000    
 H   -1.940900     -0.3731000       1.333200    
 H   -3.213500      -1.582500       1.664600    
 H   0.1742000       2.328400       1.642900    
 H    1.211300       2.762300      -2.478200    
 H   -5.372000      -1.063900      0.8968000    
 H    3.026800       1.204900      -2.249100    
 H  -0.9541000      -2.378400       1.630200    
 H   -1.418200      -1.842400      -2.627500    
 H    2.238400      -3.419700      -1.036600    
 H   0.8679000      -2.729700      -2.971400    
 H    2.087400      -2.481600       1.991300    
 H   0.9160000      -3.763200       2.384100    
 H    2.267400      -4.114500       1.311500    
 H    1.322400       2.008800       3.492200    
 H   0.2008000      0.6409000       3.058800    
 H    1.559300      0.3939000       4.147900    
 H    5.261200      -1.060400     -0.8622000    
 H    5.010700      0.5585000      -1.503900    
 H    3.889700     -0.8096000      -1.934600    


%chk=000002372-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002372

0 1
O -2.311897 -1.331680 -0.353877
O -4.752055 -0.557983 0.585433
O 1.717057 0.461542 2.294699
O 3.496983 0.001817 0.380188
N -2.573931 2.480446 0.095569
C -3.547297 1.436401 -0.290809
C -3.601322 0.329423 0.793819
C -1.937657 3.260772 -0.985036
C -0.625962 3.950055 -0.506346
C 0.510112 2.968484 -0.267540
C -2.296083 -0.477876 0.851804
C 0.595439 2.233222 0.945473
C 1.467884 2.716128 -1.272572
C 1.590640 1.253078 1.139252
C 2.476817 1.739606 -1.091180
C 2.546130 0.996662 0.106058
C -1.243247 -2.231306 -0.546394
C -0.089312 -2.269424 0.268818
C 0.941357 -3.210769 0.004164
C -1.385539 -3.117399 -1.642308
C 0.796103 -4.097686 -1.090112
C -0.360534 -4.045719 -1.906294
C 2.168801 -3.251617 0.899061
C 0.839903 0.783883 3.421111
C 4.471181 -0.290442 -0.673182
H -3.214214 0.984299 -1.243601
H -4.583619 1.811824 -0.444248
H -3.772685 0.799198 1.780917
H -2.612518 4.041367 -1.414554
H -1.690779 2.561789 -1.805896
H -0.847004 4.531602 0.411530
H -0.328301 4.682666 -1.281393
H -2.935452 3.088354 0.842791
H -1.431840 0.211668 0.829137
H -2.265395 -1.123827 1.751565
H -0.151129 2.421476 1.722315
H 1.428775 3.277324 -2.213686
H -4.472945 -1.222831 -0.098770
H 3.202999 1.564344 -1.890362
H 0.041814 -1.571839 1.102269
H -2.287097 -3.063450 -2.260472
H 1.585292 -4.827713 -1.303647
H -0.463879 -4.734861 -2.752257
H 2.582002 -2.238631 1.056522
H 1.917986 -3.662584 1.896283
H 2.958611 -3.891371 0.466915
H 0.980785 1.830661 3.754257
H -0.227161 0.620728 3.169143
H 1.139802 0.093408 4.223092
H 5.103749 -1.090823 -0.262029
H 5.093953 0.596415 -0.902729
H 3.972379 -0.644212 -1.596593


