%chk=000201459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201459

0 1
O 0.591911 -2.825201 0.042362
O 1.408430 -2.030077 -1.939848
O 2.893757 3.297287 -0.607651
O -3.702255 1.885420 0.454116
O -4.889837 -0.168723 0.539923
N 2.595625 -0.713731 1.249757
C 0.691565 -0.335010 -0.347185
C 1.406478 0.176739 0.961622
C 1.317340 -1.750201 -0.553493
C 2.682499 -1.736255 0.164928
C 1.909204 1.624594 0.868085
C -0.807159 -0.373443 -0.120458
C 0.976208 0.484791 -1.585571
C 2.680120 1.871709 -0.435488
C -1.511395 -1.578429 -0.072644
C 1.861243 1.480238 -1.633553
C -0.810276 -2.889553 -0.290829
C 2.483417 -1.353374 2.593717
C -1.472102 0.874126 0.046447
C -2.914800 -1.621039 0.148992
C -2.826597 0.825162 0.260402
C -3.542147 -0.411060 0.312137
C 4.024655 3.820046 0.109389
C -5.029136 1.288606 0.629702
H 0.665078 0.126699 1.801430
H 2.965481 -2.740566 0.533478
H 3.472663 -1.405316 -0.546643
H 2.555096 1.850806 1.738346
H 1.056789 2.329655 0.926310
H 0.407015 0.168854 -2.462842
H 3.659931 1.341598 -0.433848
H 2.041813 2.073632 -2.530176
H -1.163644 -3.689913 0.388388
H -0.899944 -3.213339 -1.347115
H 1.628517 -2.038874 2.706714
H 3.408750 -1.916683 2.796533
H 2.410491 -0.567289 3.361814
H 1.655638 -2.967301 -2.090277
H -0.924101 1.814268 -0.009383
H -3.457734 -2.560929 0.185894
H 4.948269 3.334405 -0.219116
H 3.883160 3.710010 1.188036
H 4.020373 4.879329 -0.175943
H -5.376609 1.531267 1.642376
H -5.660681 1.618366 -0.205735


%chk=000201459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201459

0 1
O 0.529858 -2.852754 0.399528
O 0.857617 -2.432197 -1.941011
O 2.568191 3.398022 -0.313397
O -3.627754 2.121241 -0.134011
O -4.916383 0.192063 0.504170
N 2.819765 -0.884286 0.769108
C 0.715020 -0.497600 -0.407519
C 1.534577 -0.117408 0.880143
C 1.169532 -1.980080 -0.597555
C 2.661476 -1.986174 -0.220223
C 1.795010 1.397465 1.003379
C -0.802977 -0.385553 -0.179789
C 1.148156 0.342653 -1.602638
C 2.568719 1.919781 -0.225119
C -1.571882 -1.521353 0.188383
C 1.959093 1.425802 -1.515440
C -0.935625 -2.897276 0.267711
C 3.395040 -1.280946 2.065895
C -1.432661 0.889161 -0.316192
C -2.970835 -1.415597 0.436454
C -2.799845 0.969877 -0.065145
C -3.557073 -0.158500 0.306957
C 3.401031 4.035151 0.704135
C -4.995234 1.650194 0.208646
H 0.953704 -0.462002 1.766898
H 2.930181 -2.970158 0.211628
H 3.275059 -1.804904 -1.124081
H 2.360032 1.597532 1.933247
H 0.831581 1.936039 1.079876
H 0.745429 0.023706 -2.571082
H 3.623290 1.565109 -0.161059
H 2.226666 1.999227 -2.411957
H -1.277796 -3.450261 1.159014
H -1.199628 -3.485425 -0.635771
H 2.764524 -2.020227 2.617585
H 4.397921 -1.719429 1.916794
H 3.517527 -0.388735 2.706125
H 1.233631 -3.341666 -2.061753
H -0.861028 1.764125 -0.635446
H -3.566228 -2.289595 0.717707
H 4.433904 3.623295 0.698664
H 2.979024 3.924102 1.724569
H 3.433203 5.105527 0.444277
H -5.342661 2.179925 1.112338
H -5.658049 1.803429 -0.660945


