%chk=000001246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001246

0 1
 O    2.398600      0.2650000      -1.419500    
 O   -1.194300       2.835000     -0.1816000    
 O    3.553000       2.304900     -4.5800000E-02
 O    3.801800      -2.187400     -0.7019000    
 N   -2.478600      9.4099998E-02 -1.4400000E-02
 C   0.2119000      0.9011000     -0.6044000    
 C  -0.5511000       1.716700      0.4455000    
 C   -1.641200      0.7462000       1.028800    
 C    1.568200       1.425500      -1.108800    
 C  -0.7306000      0.5043000      -1.771800    
 C   0.7435000     -0.3431000      3.6699999E-02
 C   0.3912000       2.326600       1.502800    
 C  -0.9989000     -0.4422000       1.813500    
 C   -2.222700      0.5126000      -1.390200    
 C   0.1893000      -1.036100       1.099600    
 C   -3.901800      0.1597000      0.3073000    
 C    1.498300       3.145600      0.8401000    
 C   -4.706400     -0.7031000     -0.6099000    
 C    2.322300       2.274400     -8.0799997E-02
 C    1.957100     -0.6855000     -0.5283000    
 C   -4.443200      -2.174700     -0.6330000    
 C   -5.707400      -1.645400     -2.1900000E-02
 C   0.8552000      -2.188100       1.519800    
 C    2.622300      -1.826300     -0.1404000    
 C    2.051000      -2.589800      0.8873000    
 C    4.412400      -3.390200     -0.2286000    
 H   -2.279000       1.325000       1.710200    
 H    1.463900       2.035200      -2.013500    
 H  -0.4701000     -0.4857000      -2.170100    
 H  -0.6079000       1.209600      -2.604000    
 H   0.8513000       1.559500       2.134100    
 H  -0.1794000       2.988900       2.165600    
 H   -1.741700      -1.225500       2.012400    
 H  -0.6616000     -7.5999998E-02   2.791200    
 H   -2.642300       1.509200      -1.577900    
 H   -2.719900     -0.1554000      -2.103400    
 H   -4.053300     -0.1716000       1.342800    
 H   -4.270700       1.192000      0.2522000    
 H    2.158000       3.549800       1.616300    
 H    1.108200       3.993100      0.2686000    
 H   -4.976500     -0.2116000      -1.536600    
 H  -0.5847000       3.219400     -0.8333000    
 H   -3.701200      -2.590600      3.7799999E-02
 H   -4.517900      -2.684700      -1.585700    
 H   -6.632000      -1.802400     -0.5643000    
 H   -5.809200      -1.706900       1.054400    
 H   0.4699000      -2.771700       2.351800    
 H    2.505400      -3.498000       1.271700    
 H    3.778300      -4.262500     -0.4189000    
 H    4.693600      -3.306400      0.8265000    
 H    5.336000      -3.531000     -0.7992000    


%chk=000001246-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001246

0 1
O 2.415487 0.233556 -1.442353
O -1.304426 2.910955 -0.160702
O 3.657046 2.259158 0.048362
O 3.746867 -2.278168 -0.779492
N -2.430618 0.169219 -0.083595
C 0.243622 0.956367 -0.617428
C -0.538206 1.785080 0.435843
C -1.635452 0.826886 1.002477
C 1.632886 1.480891 -1.112939
C -0.687507 0.610698 -1.830137
C 0.732513 -0.312626 0.086118
C 0.405912 2.364769 1.515064
C -1.023747 -0.306041 1.879216
C -2.193961 0.612669 -1.474605
C 0.145925 -0.977720 1.173664
C -3.867568 0.072801 0.274562
C 1.551246 3.187100 0.861269
C -4.677145 -0.847266 -0.631951
C 2.408983 2.308749 -0.050909
C 1.939420 -0.716169 -0.499771
C -4.450857 -2.362575 -0.576693
C -5.748460 -1.761115 -0.012527
C 0.777446 -2.176081 1.585921
C 2.568108 -1.920672 -0.116293
C 1.947217 -2.650440 0.937857
C 4.419846 -3.499933 -0.333039
H -2.294794 1.463458 1.635509
H 1.578159 2.054636 -2.056320
H -0.382895 -0.374025 -2.225338
H -0.525500 1.349842 -2.638750
H 0.854483 1.560335 2.123113
H -0.182348 3.014087 2.188649
H -1.825163 -1.035619 2.099527
H -0.688969 0.097990 2.858357
H -2.621922 1.623864 -1.662564
H -2.710170 -0.102453 -2.140194
H -3.927757 -0.311479 1.312329
H -4.347556 1.086191 0.279213
H 2.210610 3.635822 1.623368
H 1.126522 4.028498 0.271116
H -4.927435 -0.430405 -1.614301
H -0.680201 3.520256 -0.630275
H -3.697198 -2.725671 0.128349
H -4.507085 -2.934379 -1.507566
H -6.678159 -1.920767 -0.566418
H -5.873669 -1.738968 1.075173
H 0.369903 -2.747657 2.428023
H 2.400558 -3.583972 1.285618
H 3.778805 -4.391370 -0.480706
H 4.718758 -3.429360 0.731190
H 5.315546 -3.577448 -0.966220


