%chk=000058787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058787

0 1
 O   -2.582800     -0.7713000       1.752700    
 O   0.6080000      0.2089000      0.5334000    
 O  -0.4441000      0.7143000       2.520700    
 N    4.212200       1.105400      0.3618000    
 C   -1.332400      -1.514300     -0.1096000    
 C  -0.6154000      -2.584200      0.7081000    
 C   -2.530500      -2.278000     -0.6647000    
 C   -1.725100     -0.2975000      0.7097000    
 C  -0.7312000      -3.843400     -0.1454000    
 C   -1.957100      -3.641200      -1.037600    
 C    2.899800      0.5531000     -4.6500001E-02
 C    3.030900     -0.9465000     -0.3818000    
 C   -2.489000      0.7938000     -2.8400000E-02
 C  -0.4732000      0.2675000       1.380400    
 C    4.091100      -1.201100      -1.445300    
 C    1.828100      0.7072000       1.042200    
 C    5.222900      0.9107000     -0.6928000    
 C    5.410000     -0.5659000      -1.033700    
 C    4.140900       2.529400      0.7022000    
 C   -1.787300       1.858800     -0.5541000    
 C   -3.858700      0.6831000     -0.1490000    
 C   -2.486700       2.858300      -1.230400    
 C   -4.558100       1.682600     -0.8255000    
 C   -3.872000       2.770200      -1.366100    
 H  -0.6988000      -1.224100     -0.9603000    
 H   0.4327000      -2.350100      0.9144000    
 H   -1.107600      -2.762900       1.671400    
 H   -3.317700      -2.422000      8.4200002E-02
 H   -2.978100      -1.788400      -1.535300    
 H  -0.8247000      -4.739100      0.4771000    
 H   0.1632000      -3.967400     -0.7670000    
 H   -1.653900      -3.652100      -2.091000    
 H   -2.696300      -4.437000     -0.9013000    
 H    2.547100       1.067500     -0.9523000    
 H    2.078700      -1.345800     -0.7495000    
 H    3.284900      -1.513500      0.5237000    
 H    4.222600      -2.278400      -1.595200    
 H    3.760800     -0.7797000      -2.402600    
 H    1.676000       1.760400       1.298800    
 H    2.111200      0.1566000       1.947900    
 H    4.948300       1.466400      -1.599400    
 H    6.191300       1.299900     -0.3549000    
 H    6.139900     -0.6696000      -1.844600    
 H    5.819100      -1.096500     -0.1647000    
 H   -2.860200     -1.1600000E-02   2.293700    
 H    3.567900       2.693200       1.619600    
 H    5.140700       2.928200      0.9115000    
 H    3.700000       3.124900     -0.1052000    
 H  -0.7118000       1.965200     -0.4896000    
 H   -4.418300     -0.1545000      0.2546000    
 H   -1.952700       3.703500      -1.655000    
 H   -5.636700       1.613300     -0.9332000    
 H   -4.416500       3.547600      -1.894000    


%chk=000058787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058787

0 1
O -2.589027 -0.887971 1.840284
O 0.620420 0.230744 0.517413
O -0.355208 0.354983 2.623375
N 4.237358 1.264407 0.460783
C -1.429457 -1.700955 -0.155935
C -0.690400 -2.859097 0.591111
C -2.713812 -2.352590 -0.735425
C -1.722924 -0.460426 0.741350
C -1.340556 -4.188502 0.083770
C -2.239739 -3.774625 -1.114764
C 2.936430 0.728820 -0.040967
C 3.105207 -0.733664 -0.523291
C -2.396785 0.677575 -0.067816
C -0.426932 0.081770 1.397464
C 4.209686 -0.864405 -1.590801
C 1.887152 0.795239 1.081905
C 5.305118 1.169892 -0.574882
C 5.528291 -0.277856 -1.046309
C 4.148814 2.650806 0.979317
C -1.728947 1.313589 -1.146258
C -3.721614 1.063152 0.246180
C -2.379027 2.320388 -1.893342
C -4.370303 2.071261 -0.502199
C -3.702492 2.704691 -1.574654
H -0.800902 -1.347654 -0.996067
H 0.395136 -2.827885 0.384841
H -0.829158 -2.756785 1.682503
H -3.485279 -2.406081 0.055099
H -3.130996 -1.786375 -1.586358
H -1.968267 -4.627662 0.881212
H -0.588138 -4.947427 -0.196972
H -1.643468 -3.738088 -2.048179
H -3.077160 -4.475827 -1.281716
H 2.563753 1.347500 -0.902609
H 2.136319 -1.092973 -0.913376
H 3.366535 -1.357441 0.355219
H 4.339019 -1.924485 -1.879136
H 3.911560 -0.314292 -2.507338
H 1.661239 1.821294 1.415752
H 2.196305 0.189627 1.952445
H 5.057595 1.808385 -1.465042
H 6.235730 1.572029 -0.132843
H 6.319262 -0.292610 -1.820366
H 5.881717 -0.884916 -0.190820
H -2.242814 -0.457820 2.671970
H 3.552227 2.695410 1.906021
H 5.164911 3.001520 1.230732
H 3.709943 3.369635 0.241863
H -0.700173 1.032068 -1.395150
H -4.230215 0.555956 1.070932
H -1.852239 2.806161 -2.722865
H -5.397269 2.358570 -0.248990
H -4.205027 3.486839 -2.154974


