%chk=000296257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296257

0 1
P 1.388022 0.360181 -0.175638
O 1.635695 -1.223326 0.216947
O 2.656050 1.067971 0.605935
O 1.290114 0.629119 -1.630174
N 0.070653 0.798544 0.848038
C -1.327589 0.383563 0.493025
C -3.171608 0.542073 -1.216980
C -2.973330 -1.513961 0.231958
C -3.729505 0.670959 1.236540
C -1.704795 0.909873 -0.913240
C -1.505091 -1.159590 0.546255
C -2.263682 1.035578 1.551352
C -3.338955 -0.992618 -1.174702
C -4.100089 1.191708 -0.168322
C -3.900456 -0.862830 1.281164
C 2.564343 -1.976030 -0.628063
C 3.324025 2.183494 -0.069601
C 3.971662 -1.794043 -0.072157
C 2.051928 -3.406293 -0.501638
C 4.118667 2.815545 1.067465
C 4.203634 1.637772 -1.187990
H -3.437698 0.916334 -2.231003
H -3.098010 -2.619416 0.262378
H -4.394429 1.141354 1.994927
H -1.043009 0.494377 -1.701041
H -1.559921 2.004529 -0.962430
H -1.217812 -1.548889 1.537748
H -0.835153 -1.664374 -0.173998
H -2.130492 2.132519 1.542402
H -2.000423 0.699272 2.568139
H -4.375560 -1.271645 -1.429039
H -2.694501 -1.465392 -1.936580
H -4.007354 2.290954 -0.206020
H -5.154972 0.961928 -0.396097
H -4.951368 -1.135512 1.083194
H -3.666374 -1.245746 2.289130
H 0.252489 0.737088 1.868309
H 2.486952 -1.615637 -1.682450
H 2.553035 2.887142 -0.460672
H 4.669498 -2.526848 -0.487310
H 4.373284 -0.787205 -0.282009
H 3.975990 -1.905574 1.021211
H 2.685507 -4.113363 -1.045162
H 1.029333 -3.491043 -0.890105
H 2.015574 -3.717724 0.550882
H 3.453542 3.105003 1.891713
H 4.842665 2.105080 1.487133
H 4.662894 3.704349 0.735019
H 4.698566 0.700345 -0.881631
H 4.984382 2.348374 -1.475187
H 3.614174 1.413730 -2.092923


%chk=000296257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296257

0 1
P 1.483247 -0.179305 -0.230124
O 1.920381 -1.693827 0.481383
O 2.825612 0.789022 0.314666
O 1.216893 -0.219103 -1.803322
N 0.186419 0.397718 0.728942
C -1.262256 0.275467 0.389193
C -3.146093 1.077089 -1.123275
C -3.186072 -1.284751 -0.199230
C -3.583496 0.690251 1.343433
C -1.621670 1.164878 -0.836448
C -1.662268 -1.199008 0.087864
C -2.058510 0.775794 1.626114
C -3.531798 -0.396998 -1.425514
C -3.934761 1.576416 0.117411
C -3.971433 -0.783443 1.043545
C 2.993598 -2.523873 -0.177392
C 2.929195 2.201651 -0.198720
C 4.339628 -2.221936 0.495704
C 2.534205 -3.976607 -0.019647
C 3.735802 2.946895 0.868848
C 3.585501 2.204169 -1.587459
H -3.386557 1.711706 -1.998753
H -3.457676 -2.337517 -0.411666
H -4.134998 1.048124 2.235116
H -1.037602 0.830654 -1.714141
H -1.328286 2.210642 -0.616066
H -1.388930 -1.836708 0.951271
H -1.086812 -1.559887 -0.787503
H -1.771002 1.822706 1.851825
H -1.804617 0.154442 2.510170
H -4.614965 -0.467534 -1.651016
H -2.984377 -0.755399 -2.319434
H -3.682107 2.635400 0.327272
H -5.024831 1.531631 -0.078440
H -5.061884 -0.855034 0.858779
H -3.744819 -1.423668 1.920034
H 0.413393 0.574573 1.711209
H 3.021823 -2.245574 -1.250586
H 1.900620 2.615255 -0.262554
H 5.148859 -2.794770 0.004771
H 4.570382 -1.145450 0.428028
H 4.305753 -2.506444 1.562419
H 3.280370 -4.662788 -0.461415
H 1.565141 -4.135909 -0.521982
H 2.420231 -4.224989 1.050409
H 3.220351 2.918336 1.844002
H 4.729836 2.480578 0.986571
H 3.876884 4.002644 0.572409
H 4.601437 1.773692 -1.530845
H 3.666447 3.240219 -1.966988
H 2.986310 1.612272 -2.300164


