%chk=000296259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296259

0 1
P 0.659669 -0.595582 0.257234
O 1.357433 0.875253 0.489997
O 1.721268 -1.363800 -0.768582
O 0.391694 -1.261083 1.546926
N -0.623523 -0.360063 -0.885593
C -2.043197 -0.598292 -0.454646
C -4.423106 -0.350119 -1.273788
C -3.867189 0.081087 1.145826
C -3.801850 -2.270753 0.236420
C -2.938515 -0.163005 -1.649405
C -2.377257 0.267934 0.785565
C -2.312577 -2.092537 -0.128071
C -4.753595 0.516854 -0.040445
C -4.687886 -1.836320 -0.951122
C -4.133548 -1.404709 1.471027
C 1.568981 1.701838 -0.689969
C 2.870008 -1.985231 -0.138524
C 2.562905 2.755656 -0.200440
C 3.977073 -0.949819 0.063881
C 2.822126 3.817973 -1.273854
C 5.286072 -1.626721 0.488477
C 3.819150 4.868387 -0.790927
C 6.401536 -0.605949 0.699648
H -5.060291 -0.036240 -2.130538
H -4.105798 0.704675 2.036491
H -3.994517 -3.341468 0.471376
H -2.737245 0.893044 -1.903525
H -2.700425 -0.750768 -2.551782
H -1.756186 -0.023287 1.658104
H -2.156779 1.331038 0.586279
H -2.044560 -2.736906 -0.980198
H -1.685371 -2.425375 0.724429
H -4.590406 1.584452 -0.267619
H -5.820518 0.416053 0.223139
H -5.753361 -1.989999 -0.707571
H -4.479393 -2.463882 -1.834303
H -3.518312 -1.720722 2.333116
H -5.185103 -1.549751 1.770745
H -0.442672 -0.710867 -1.846336
H 1.978930 1.098301 -1.520746
H 0.595624 2.144286 -0.976675
H 3.148404 -2.751046 -0.889937
H 2.577574 -2.488711 0.804035
H 3.507992 2.264507 0.104086
H 2.171819 3.220714 0.728173
H 3.676861 -0.196776 0.823171
H 4.123520 -0.375633 -0.872330
H 3.203297 3.338931 -2.197367
H 1.870279 4.310616 -1.556085
H 5.126186 -2.201217 1.423187
H 5.597094 -2.365897 -0.275957
H 4.787640 4.421485 -0.538203
H 3.998559 5.628013 -1.560192
H 3.456659 5.387549 0.104318
H 6.142070 0.118795 1.480685
H 7.333276 -1.095672 1.005069
H 6.611884 -0.040439 -0.215171


%chk=000296259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296259

0 1
P 0.945661 -1.019123 0.181511
O 1.493578 0.604996 0.477442
O 2.057587 -1.708400 -0.974364
O 0.820064 -1.776235 1.574800
N -0.392637 -0.923904 -0.902507
C -1.805828 -0.738282 -0.473439
C -4.094859 -0.017348 -1.322051
C -3.386299 0.543090 1.047667
C -3.918885 -1.855084 0.418670
C -2.606510 -0.235997 -1.707330
C -1.898737 0.323354 0.658201
C -2.430405 -2.074697 0.031777
C -4.178304 1.043695 -0.191074
C -4.706616 -1.354710 -0.823532
C -3.998908 -0.792948 1.548350
C 1.688610 1.525148 -0.674310
C 3.241927 -2.430493 -0.431847
C 1.721623 2.948106 -0.111395
C 4.370820 -1.471831 -0.028878
C 1.933066 4.002987 -1.223891
C 5.627710 -2.237626 0.448506
C 1.970205 5.443809 -0.670266
C 6.777931 -1.288388 0.848217
H -4.650381 0.339401 -2.211666
H -3.436925 1.300563 1.853983
H -4.348969 -2.811800 0.774681
H -2.156231 0.706602 -2.075620
H -2.533341 -0.982270 -2.526476
H -1.324219 -0.016077 1.542770
H -1.445389 1.272672 0.311570
H -2.350617 -2.839691 -0.767693
H -1.847423 -2.438277 0.899987
H -3.764883 2.010198 -0.543563
H -5.237706 1.220351 0.082648
H -5.773670 -1.206657 -0.563080
H -4.668802 -2.115089 -1.629701
H -3.450604 -1.149553 2.442452
H -5.054060 -0.635439 1.848948
H -0.246938 -1.426912 -1.783944
H 2.641477 1.267600 -1.177181
H 0.856328 1.393583 -1.395428
H 3.547768 -3.085840 -1.265815
H 2.924198 -3.053007 0.427757
H 2.532861 3.021597 0.637866
H 0.772519 3.144947 0.423662
H 4.014553 -0.802761 0.778894
H 4.630785 -0.831513 -0.895007
H 2.879403 3.789036 -1.761334
H 1.121050 3.916545 -1.974716
H 5.360740 -2.878388 1.313066
H 5.973642 -2.920439 -0.354515
H 2.793610 5.567508 0.057719
H 2.119261 6.182422 -1.479034
H 1.025216 5.693819 -0.152635
H 6.468669 -0.618717 1.672184
H 7.666761 -1.852395 1.185317
H 7.082924 -0.653334 -0.004849


