%chk=000104774.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104774

0 1
 I    2.934700       2.411600       2.575000    
 I    2.569300      0.3198000      -3.146100    
 O   -4.097300      -1.669600     -0.5331000    
 O   -2.386500       2.131600      0.3505000    
 O    3.819700       1.435000     -0.3794000    
 N    6.867300     -0.5625000      0.1493000    
 C   -4.782000      0.5863000     -0.9753000    
 C   -3.752600     -0.3556000     -0.5096000    
 C   -2.470500     -0.1964000     -3.6699999E-02
 C   -5.704200       1.076400      0.1636000    
 C   -1.986400      -1.499200      0.2536000    
 C   -3.023400      -2.368500     -6.8800002E-02
 C   -6.799300       2.019800     -0.3340000    
 C   -1.796800       1.060600      0.1161000    
 C  -0.7879000      -2.039200      0.7520000    
 C  -0.3106000       1.160600     -1.5100000E-02
 C   -2.954300      -3.753500      7.0900001E-02
 C   -7.716300       2.455500      0.7978000    
 C  -0.6885000      -3.429100      0.9040000    
 C   -1.753900      -4.268700      0.5689000    
 C   0.3104000      0.7922000      -1.208600    
 C   0.4548000       1.621200       1.056100    
 C    2.462200       1.345200     -0.2597000    
 C    1.841300       1.713600      0.9338000    
 C    1.696800      0.8845000      -1.330800    
 C    4.577000      0.2868000     -8.0000004E-03
 C    6.051500      0.5799000     -0.2343000    
 C    8.284800     -0.2741000     -2.5699999E-02
 C    9.140600      -1.464300      0.3737000    
 H   -5.394300      0.1034000      -1.747500    
 H   -4.310900       1.450100      -1.459300    
 H   -5.104300       1.582600      0.9303000    
 H   -6.165600      0.2080000      0.6518000    
 H   -6.344700       2.905000     -0.7935000    
 H   -7.395100       1.521800      -1.107700    
 H   5.4299999E-02  -1.416100       1.032600    
 H   -3.784800      -4.398100     -0.1910000    
 H   -7.155400       2.983300       1.575700    
 H   -8.490600       3.130400      0.4199000    
 H   -8.211400       1.593200       1.255800    
 H   0.2317000      -3.859200       1.291100    
 H   -1.648100      -5.343000      0.6981000    
 H  -0.2957000      0.4390000      -2.040200    
 H  -4.1000001E-02   1.902700       1.982700    
 H    4.270500     -0.5808000     -0.6037000    
 H    4.401700      4.0899999E-02   1.045600    
 H    6.328200       1.466700      0.3497000    
 H    6.210200      0.8378000      -1.289000    
 H    6.608100      -1.376200     -0.4076000    
 H    8.573800      0.5847000      0.5913000    
 H    8.497100     -2.2200000E-02  -1.071600    
 H    10.20170      -1.227900      0.2443000    
 H    8.912500      -2.340700     -0.2423000    
 H    8.979800      -1.731900       1.423400    


%chk=000104774-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104774

0 1
I 3.043292 3.265915 1.455693
I 2.649252 -1.164841 -2.818473
O -4.469897 -1.603156 -0.736917
O -2.325671 1.906441 0.458717
O 3.899790 1.110435 -0.841326
N 7.195677 -0.266230 0.235048
C -4.863457 0.821252 -0.845860
C -3.927023 -0.310191 -0.587395
C -2.580431 -0.381525 -0.207346
C -5.714141 1.190590 0.407248
C -2.251240 -1.808477 -0.073401
C -3.440395 -2.518155 -0.403399
C -6.706174 2.336056 0.107907
C -1.771716 0.825165 0.066326
C -1.121362 -2.563057 0.335627
C -0.280019 0.809046 -0.143321
C -3.572003 -3.911211 -0.383172
C -7.554181 2.717422 1.340163
C -1.224041 -3.970525 0.370056
C -2.426805 -4.640096 0.011007
C 0.343942 -0.032246 -1.099421
C 0.499707 1.751000 0.575982
C 2.538643 0.977872 -0.578097
C 1.886150 1.823188 0.366072
C 1.732036 0.063142 -1.312135
C 4.817410 0.248536 -0.030795
C 6.240433 0.625450 -0.452231
C 8.597410 0.210557 0.271952
C 9.497485 -0.801086 1.001314
H -5.538190 0.548420 -1.679958
H -4.276489 1.709162 -1.138844
H -5.026267 1.492829 1.218880
H -6.268407 0.295973 0.753241
H -6.141540 3.223323 -0.242842
H -7.374500 2.036881 -0.725589
H -0.187344 -2.072857 0.624006
H -4.512207 -4.400879 -0.650650
H -6.910577 3.051508 2.175168
H -8.257263 3.537711 1.106114
H -8.147472 1.854542 1.697102
H -0.356923 -4.562317 0.682264
H -2.469762 -5.733569 0.047024
H -0.255183 -0.731791 -1.687652
H -0.008604 2.419431 1.276271
H 4.595134 -0.814654 -0.252675
H 4.660794 0.445187 1.045253
H 6.439604 1.665765 -0.136634
H 6.306819 0.603875 -1.565537
H 7.140219 -1.232386 -0.117078
H 8.611611 1.177138 0.812300
H 9.011200 0.408226 -0.748614
H 10.535774 -0.428695 1.062017
H 9.520017 -1.772495 0.470397
H 9.124483 -0.978201 2.025210


