%chk=000174641.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174641

0 1
 O   -6.563000     -0.6117000      0.2030000    
 O   -5.592900       1.251200     -0.7019000    
 N   0.3490000      -1.069500       1.199700    
 N   0.8754000       1.409100     -6.2100001E-02
 N   -2.786400       1.218200     -0.3765000    
 N   -1.233000       2.855400      -1.092100    
 N   -4.327100     -0.4210000      0.3455000    
 C    1.736300     -0.6669000       1.034500    
 C    1.879400      0.7180000      0.3893000    
 C    2.432800      -1.701500      0.2097000    
 C  -0.6857000     -0.3166000      0.6866000    
 C  -0.4214000      0.8986000      5.6699999E-02
 C    3.228700       1.278300      0.2919000    
 C   -2.008900     -0.7526000      0.7814000    
 C    2.979200      -2.826000      0.8239000    
 C    2.533000      -1.536700      -1.169900    
 C   -1.497800       1.617600     -0.4517000    
 C   -3.009400      3.9900001E-02  0.2408000    
 C    4.182200      0.9447000       1.246500    
 C    3.541800       2.138100     -0.7541000    
 C    3.629300      -3.791000      5.4400001E-02
 C    3.183100      -2.501600      -1.939400    
 C    3.731200      -3.628700      -1.327100    
 C    5.467500       1.478700       1.153800    
 C    4.827200       2.672100     -0.8469000    
 C    5.790000       2.342400      0.1071000    
 C   -5.492600      0.1828000     -0.1111000    
 C   -7.847700     -0.1251000     -0.2020000    
 C   -8.900300      -1.096100      0.2098000    
 H    2.158000     -0.6273000       2.043300    
 H   0.1396000      -1.939300       1.675900    
 H   -2.240200      -1.696500       1.267800    
 H    2.905500      -2.964000       1.899300    
 H    2.093500     -0.6917000      -1.690900    
 H    3.977000      0.2983000       2.091900    
 H    2.811000       2.402500      -1.513400    
 H    4.055600      -4.668900      0.5310000    
 H    3.256500      -2.379300      -3.016100    
 H    4.235800      -4.380900      -1.926500    
 H    6.216200       1.226500       1.899200    
 H    5.079100       3.343200      -1.662900    
 H  -0.4084000       3.372500     -0.8128000    
 H   -2.029000       3.370300      -1.447100    
 H   -4.452200      -1.313700      0.8169000    
 H    6.790400       2.758700      3.5300002E-02
 H   -8.030600      0.8465000      0.2708000    
 H   -7.859500     -1.2000001E-03  -1.290800    
 H   -9.895100     -0.7513000     -8.6400002E-02
 H   -8.723300      -2.078300     -0.2415000    
 H   -8.891700      -1.244300       1.294900    


%chk=000174641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174641

0 1
O -6.487286 -0.635935 0.192847
O -5.568746 1.100112 -1.112472
N 0.446198 -0.753120 1.528173
N 1.011647 1.432141 -0.124615
N -2.657329 1.138370 -0.646914
N -1.084683 2.592687 -1.588957
N -4.268457 -0.319768 0.319347
C 1.865082 -0.580182 1.113293
C 2.031185 0.807441 0.448815
C 2.330626 -1.739326 0.211517
C -0.601220 -0.189935 0.817397
C -0.279563 0.906394 -0.043009
C 3.372319 1.433677 0.426595
C -1.949202 -0.599753 0.946400
C 3.030330 -2.833569 0.779682
C 2.023332 -1.762356 -1.172590
C -1.353894 1.537038 -0.753972
C -2.925427 0.103842 0.187455
C 4.538255 0.740554 0.863024
C 3.520826 2.775037 -0.035492
C 3.411781 -3.937826 -0.015195
C 2.401166 -2.865587 -1.968316
C 3.095023 -3.956605 -1.393123
C 5.803124 1.366330 0.837952
C 4.782538 3.396319 -0.060495
C 5.934239 2.696064 0.378297
C -5.420328 0.168947 -0.298445
C -7.831035 -0.278728 -0.334702
C -8.820637 -1.266036 0.277238
H 2.472960 -0.608307 2.038484
H 0.247821 -1.551465 2.133030
H -2.228655 -1.432669 1.600940
H 3.280734 -2.820161 1.849489
H 1.498242 -0.914803 -1.627158
H 4.472813 -0.299316 1.197735
H 2.623136 3.308533 -0.361187
H 3.956071 -4.775760 0.434801
H 2.159724 -2.873883 -3.037092
H 3.390267 -4.809989 -2.013747
H 6.687997 0.812999 1.172085
H 4.873275 4.429254 -0.415354
H -0.125265 2.926476 -1.658397
H -1.857550 3.049310 -2.066738
H -4.441737 -1.102255 0.953353
H 6.916650 3.180961 0.361165
H -8.053452 0.767225 -0.054119
H -7.805081 -0.338321 -1.438139
H -9.842153 -1.042289 -0.080770
H -8.571463 -2.302314 -0.009138
H -8.816096 -1.197550 1.378725


