%chk=000158896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158896

0 1
 O  -0.2711000      0.3544000       1.686400    
 O    2.688300      0.5893000     -0.1410000    
 O   0.4468000       1.441900      -2.718500    
 O    4.332600       2.088700      0.4737000    
 N   -1.330300      0.4177000      -1.618400    
 N   0.4177000       1.071000     -0.4120000    
 C   -1.726000      2.3499999E-02 -0.2686000    
 C  -0.4574000      0.4927000      0.4821000    
 C   -2.999800      0.7932000      9.4999999E-02
 C   -1.865400      -1.493700     -9.3800001E-02
 C  -8.1799999E-02   1.030900      -1.693700    
 C    1.705800       1.622400     -4.1200001E-02
 C   -2.975200       1.748600       1.113800    
 C   -1.692200      -2.344800      -1.187900    
 C   -4.190700      0.5421000     -0.5905000    
 C   -2.166600      -2.030400       1.160200    
 C   -4.135200       2.448900       1.445000    
 C   -1.819400      -3.724700      -1.028700    
 C   -5.350500       1.242500     -0.2593000    
 C   -2.293700      -3.410400       1.319300    
 C   -5.322800       2.195900      0.7584000    
 C   -2.120100      -4.257400      0.2249000    
 C    4.899700     -0.2092000       0.000000    
 C    6.339000      0.1356000      0.3717000    
 C    3.966600      0.9672000      0.1461000    
 C    7.286900      -1.054100      0.2050000    
 C    8.715000     -0.6820000      0.5721000    
 H   -1.915000      0.2757000      -2.437000    
 H    1.660000       1.987100      0.9904000    
 H    1.955800       2.434800     -0.7320000    
 H   -2.078300       1.993100       1.670900    
 H   -1.458200      -1.974100      -2.180800    
 H   -4.231200     -0.1955000      -1.387700    
 H   -2.312100      -1.388800       2.024900    
 H   -4.114000       3.193400       2.235600    
 H   -1.684700      -4.384900      -1.880600    
 H   -6.275100       1.046000     -0.7942000    
 H   -2.529400      -3.825200       2.294900    
 H   -6.225700       2.741800       1.015800    
 H   -2.219600      -5.331800      0.3486000    
 H    4.537400      -1.014500      0.6489000    
 H    4.857700     -0.5469000      -1.041600    
 H    6.688200      0.9685000     -0.2519000    
 H    6.374000      0.4888000       1.410300    
 H    6.955300      -1.884500      0.8389000    
 H    7.261500      -1.406500     -0.8326000    
 H    9.375700      -1.545500      0.4466000    
 H    8.779200     -0.3537000       1.614400    
 H    9.086600      0.1257000     -6.6500001E-02


%chk=000158896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158896

0 1
O 0.162813 0.786084 1.284120
O 2.667536 0.994929 -1.010582
O -0.159640 1.923821 -3.272909
O 3.835642 1.969049 0.768862
N -1.574502 0.659055 -1.834542
N 0.336069 1.474639 -0.972573
C -1.616641 0.219407 -0.418324
C -0.283023 0.845371 0.117676
C -2.868468 0.794412 0.277694
C -1.502577 -1.315358 -0.273338
C -0.457492 1.397403 -2.176487
C 1.647167 2.077411 -0.940898
C -2.825878 1.986320 1.040467
C -1.159394 -2.134648 -1.374298
C -4.116524 0.151955 0.070529
C -1.685127 -1.904415 1.003653
C -4.012856 2.530317 1.580779
C -1.023851 -3.532063 -1.207500
C -5.302347 0.699365 0.604290
C -1.542826 -3.297937 1.169299
C -5.254657 1.893279 1.361088
C -1.217024 -4.118387 0.063167
C 4.535177 -0.231752 -0.132979
C 5.915677 -0.087254 0.539516
C 3.691881 1.025131 -0.035357
C 6.712474 -1.410927 0.529464
C 8.101140 -1.268956 1.188572
H -2.368142 0.569631 -2.466952
H 1.802480 2.647898 -0.009615
H 1.759082 2.701354 -1.841170
H -1.870644 2.484120 1.236312
H -0.993692 -1.682170 -2.357558
H -4.156863 -0.787516 -0.493741
H -1.928902 -1.270044 1.862314
H -3.965992 3.448841 2.175901
H -0.763808 -4.158425 -2.068043
H -6.259401 0.193423 0.436174
H -1.683833 -3.743443 2.160173
H -6.173624 2.317523 1.780224
H -1.110659 -5.201183 0.192630
H 3.958352 -1.046169 0.352448
H 4.624451 -0.517087 -1.197134
H 6.497880 0.700788 0.022455
H 5.778716 0.263022 1.579889
H 6.130036 -2.193162 1.058262
H 6.832721 -1.764146 -0.515196
H 8.652891 -2.226707 1.178862
H 8.007742 -0.941962 2.241223
H 8.716761 -0.518036 0.658555


