%chk=000178852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178852

0 1
 O   -2.001900       2.298900      0.3456000    
 O   -2.991000      -3.342200     -3.3599999E-02
 O   -3.578400       1.108800     -0.8365000    
 O   -4.200600      -1.392600     -0.2203000    
 N   0.2653000      -1.134800      4.3900002E-02
 N  -0.7122000      -2.057000      3.5900000E-02
 C  -0.1841000      0.1517000     -5.7599999E-02
 C   -1.554800      5.9000000E-02 -0.1377000    
 C    1.595400      -1.545300      0.1500000    
 C   0.6744000       1.311100     -6.9899999E-02
 C   -1.821900      -1.321800     -7.5099997E-02
 C    2.596100     -0.7836000     -0.4380000    
 C    1.898400      -2.710300      0.8416000    
 C    3.924900      -1.194800     -0.3327000    
 C   -2.471600       1.155000     -0.2576000    
 C    1.014800       1.940600       1.127400    
 C    1.163100       1.803200      -1.280000    
 C    3.227200      -3.121500      0.9471000    
 C    4.240300      -2.363700      0.3599000    
 C   -3.100500      -1.974100     -0.1178000    
 C    1.844100       3.062200       1.114500    
 C    1.992300       2.924700      -1.293100    
 C    5.008700     -0.3850000     -0.9602000    
 C    2.332800       3.554200     -9.5700003E-02
 C   -2.830300       3.465400      0.2945000    
 C   -2.129900       4.599400       1.012300    
 C   -4.200700      -4.107200     -6.6900000E-02
 H    2.435200      4.6999999E-03  -1.142300    
 H    1.133000      -3.316100       1.319500    
 H   0.6419000       1.569700       2.079100    
 H   0.8909000       1.339000      -2.225800    
 H    3.473300      -4.030500       1.488300    
 H    5.271100      -2.696400      0.4488000    
 H    2.108500       3.552800       2.046600    
 H    2.369100       3.310600      -2.235700    
 H    5.056900     -0.5893000      -2.034400    
 H    4.829600      0.6852000     -0.8101000    
 H    5.986000     -0.6118000     -0.5210000    
 H    2.977400       4.428100     -0.1059000    
 H   -3.006900       3.739000     -0.7513000    
 H   -3.787800       3.251300      0.7814000    
 H   -2.739300       5.507200      0.9980000    
 H   -1.922600       4.327600       2.052500    
 H   -1.164600       4.814300      0.5419000    
 H   -4.724900      -3.940500      -1.012500    
 H   -4.838300      -3.839300      0.7807000    
 H   -3.937300      -5.165300      9.4999997E-03


%chk=000178852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178852

0 1
O -2.938789 1.897988 0.403321
O -3.117648 -2.280633 0.861322
O -1.705153 2.666608 -1.418440
O -3.835453 -0.702476 -0.698495
N 0.650655 -0.770770 0.137295
N -0.489489 -1.557720 0.291979
C 0.350449 0.561942 -0.185158
C -1.061065 0.621460 -0.249443
C 1.928996 -1.431620 0.236065
C 1.358721 1.643144 -0.249357
C -1.526429 -0.700729 0.062179
C 2.981689 -1.094791 -0.642450
C 2.084489 -2.453015 1.201783
C 4.231294 -1.756025 -0.547692
C -1.893012 1.818457 -0.508792
C 2.341630 1.771024 0.772341
C 1.340936 2.585147 -1.312607
C 3.323567 -3.118197 1.290981
C 4.391372 -2.768392 0.431926
C -2.926748 -1.189806 0.016809
C 3.293188 2.809850 0.721558
C 2.298420 3.621813 -1.359397
C 5.359386 -1.394423 -1.498153
C 3.278768 3.737305 -0.347816
C -3.965068 2.950973 0.131904
C -5.078763 2.744074 1.152508
C -4.474327 -2.876136 0.818325
H 2.833144 -0.323179 -1.404381
H 1.242605 -2.716038 1.847321
H 2.350760 1.066045 1.610417
H 0.569253 2.510201 -2.083396
H 3.458316 -3.910553 2.035073
H 5.352310 -3.289121 0.516448
H 4.039793 2.899745 1.518141
H 2.272562 4.341196 -2.184944
H 5.127847 -1.713611 -2.532132
H 5.528607 -0.302496 -1.525003
H 6.305539 -1.879432 -1.203376
H 4.018969 4.544336 -0.385932
H -3.479144 3.939465 0.222530
H -4.314233 2.827020 -0.908703
H -5.871955 3.498772 1.000209
H -5.523376 1.740813 1.039667
H -4.695260 2.845265 2.182350
H -4.703368 -3.233316 -0.199974
H -5.229364 -2.129671 1.117901
H -4.433521 -3.709895 1.532588


