%chk=000018348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018348

0 1
 O    2.057200      -1.861000      -1.359700    
 O   -4.406600     -6.4599998E-02 -0.1087000    
 O   -4.107900       2.044200      0.7647000    
 N    4.591400      3.3500001E-02 -0.1320000    
 N    1.853800     -0.3737000      0.4454000    
 C    4.001100      -1.301700     -4.4500001E-02
 C    4.472900      0.5567000      -1.492500    
 C    5.993400      5.0000002E-04  0.2828000    
 C   0.4784000     -4.0500000E-02  0.4294000    
 C  -0.4835000      -1.039200      0.5810000    
 C   8.4799998E-02   1.287300      0.2632000    
 C    2.531200      -1.229800     -0.4205000    
 C   -2.232500      0.6176000      0.3999000    
 C   -1.838900     -0.7102000      0.5662000    
 C   -1.270700       1.616300      0.2484000    
 C    5.081600       1.944400      -1.602000    
 C    6.130500     -0.4829000       1.716500    
 C  -9.2500001E-02  -2.470300      0.7633000    
 C    1.092100       2.379200      9.9500000E-02
 C   -3.645800      0.9606000      0.3833000    
 C   -5.819900      0.1533000     -0.1766000    
 C   -6.482700      -1.091800     -0.7456000    
 C   -7.987400     -0.9279000     -0.8615000    
 H    4.501500      -2.019400     -0.7062000    
 H    4.021700      -1.707400      0.9729000    
 H    3.421800      0.6540000      -1.784600    
 H    4.950600     -0.1069000      -2.225000    
 H    6.426300       1.005800      0.2776000    
 H    6.603200     -0.6261000     -0.3803000    
 H    2.447400      0.3131000      0.9063000    
 H   -2.577700      -1.497700      0.6955000    
 H   -1.578500       2.651100      0.1161000    
 H    4.768900       2.405500      -2.545800    
 H    6.175700       1.924300      -1.616700    
 H    4.744300       2.602100     -0.7935000    
 H    7.144800     -0.2778000       2.077500    
 H    5.980100      -1.562700       1.810700    
 H    5.435400      3.3399999E-02   2.387500    
 H  -0.8789000      -3.022200       1.291900    
 H   0.8081000      -2.579000       1.375700    
 H   5.4800000E-02  -2.956800     -0.2050000    
 H   0.6152000       3.351300     -6.7400001E-02
 H    1.733500       2.185000     -0.7658000    
 H    1.709900       2.471200      0.9987000    
 H   -6.019600       1.016900     -0.8217000    
 H   -6.201500      0.3588000      0.8302000    
 H   -6.249100      -1.955000     -0.1109000    
 H   -6.056000      -1.318100      -1.730100    
 H   -8.437600      -1.837000      -1.272300    
 H   -8.241500     -9.3999997E-02  -1.523700    
 H   -8.437900     -0.7387000      0.1180000    


%chk=000018348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018348

0 1
O 2.182194 -2.211548 -1.733040
O -4.436513 -0.131800 -0.040991
O -4.011081 2.130951 -0.403633
N 4.671409 -0.029042 -0.114190
N 2.001987 -0.377494 -0.243872
C 4.200108 -1.345705 -0.624967
C 5.070772 0.857344 -1.253789
C 5.720521 -0.145055 0.943024
C 0.602501 -0.097726 -0.243456
C -0.361842 -1.126624 -0.008811
C 0.198994 1.263648 -0.428648
C 2.686202 -1.361914 -0.942384
C -2.147137 0.563270 -0.225973
C -1.730416 -0.772667 -0.018551
C -1.173204 1.574635 -0.416687
C 5.218273 2.341186 -0.873201
C 5.166463 -0.660442 2.283915
C 0.038872 -2.553170 0.302502
C 1.230108 2.355497 -0.650225
C -3.581352 0.959654 -0.237484
C -5.894548 0.176428 -0.044435
C -6.633048 -1.140266 0.202023
C -8.163759 -0.929759 0.215334
H 4.732148 -1.670608 -1.543857
H 4.374038 -2.125944 0.138631
H 4.281234 0.761782 -2.023296
H 6.016797 0.491434 -1.722591
H 6.143656 0.861618 1.103032
H 6.561534 -0.795824 0.600662
H 2.672259 0.278873 0.203747
H -2.487693 -1.542532 0.155409
H -1.513102 2.604773 -0.567937
H 5.386249 2.944222 -1.783980
H 6.072355 2.523783 -0.197589
H 4.302541 2.710271 -0.379076
H 5.972967 -0.696216 3.038967
H 4.746084 -1.678946 2.201390
H 4.369681 0.007666 2.655412
H -0.816116 -3.116385 0.712670
H 0.862360 -2.584402 1.041149
H 0.410293 -3.065209 -0.603157
H 0.739139 3.311392 -0.895768
H 1.918410 2.098986 -1.477333
H 1.852278 2.527892 0.251036
H -6.157988 0.626380 -1.020063
H -6.100061 0.925141 0.743622
H -6.298373 -1.567845 1.165700
H -6.354508 -1.864244 -0.586444
H -8.689417 -1.884906 0.390940
H -8.521380 -0.520324 -0.747944
H -8.465987 -0.226529 1.013808


