%chk=000005398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005398

0 1
O 0.333929 0.692996 1.722612
O -2.134006 0.122913 -1.697227
O -3.253970 -3.902110 -1.645006
O 0.820442 -3.200657 1.153057
N -2.055168 1.310829 0.294984
N 0.978328 0.105192 -0.430341
N -3.801427 -1.845331 -0.697329
N -0.719339 -2.108486 -0.164305
C -0.753291 1.954276 -0.046771
C -0.543583 3.312724 0.649790
C -1.493789 4.476416 0.243031
C 0.277923 0.906360 0.470533
C -3.497699 -0.719417 0.203090
C -2.925439 4.343309 0.819725
C -1.532262 4.697474 -1.288405
C -2.537431 0.291297 -0.499143
C -4.772113 -0.044373 0.765742
C 1.525533 -1.136552 0.094474
C -2.986829 -2.979120 -0.816850
C 1.199810 0.385795 -1.869188
C -1.757004 -3.122368 0.102518
C -4.863909 -1.652633 -1.707201
C 0.529380 -2.230744 0.417645
C 2.855732 -1.400983 0.277680
C 4.037919 -0.541957 0.121084
C 5.314594 -1.175951 0.066831
C 3.993997 0.883350 0.060604
C 6.498668 -0.424372 -0.071306
C 5.179540 1.634176 -0.067110
C 6.436260 0.986997 -0.142433
H -0.740570 2.060248 -1.140238
H -0.577174 3.155371 1.745981
H 0.497259 3.621666 0.421056
H -1.047579 5.385952 0.698707
H -2.283784 1.310019 1.294026
H -2.923897 -1.118573 1.061955
H -3.502088 5.268609 0.634114
H -2.903102 4.177142 1.913822
H -3.471720 3.505288 0.351633
H -0.513705 4.796821 -1.710113
H -2.088798 5.619920 -1.536108
H -2.038302 3.860235 -1.804654
H -4.509794 0.713817 1.524866
H -5.353309 0.458533 -0.024445
H -5.414078 -0.799363 1.251102
H 2.284017 0.397706 -2.079650
H 0.784197 1.364658 -2.145317
H 0.718779 -0.382228 -2.499540
H -2.040785 -3.089247 1.174719
H -1.352305 -4.131497 -0.081776
H -5.861401 -1.603515 -1.235987
H -4.834462 -2.519391 -2.384371
H -4.675837 -0.730181 -2.285270
H -0.885083 -1.413588 -0.900243
H 3.052637 -2.431490 0.606565
H 5.367589 -2.269442 0.132660
H 3.035018 1.399312 0.154903
H 7.466979 -0.934576 -0.116031
H 5.127501 2.728325 -0.097746
H 7.354706 1.575619 -0.243604


%chk=000005398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005398

0 1
O 0.222415 0.634674 1.794780
O -2.100785 0.094771 -1.693335
O -3.172990 -3.938599 -1.602587
O 0.836978 -3.170308 1.273206
N -2.093814 1.313859 0.281351
N 0.989593 0.134122 -0.346772
N -3.781887 -1.872498 -0.713779
N -0.705875 -2.097883 -0.098732
C -0.770938 1.941381 -0.006721
C -0.575579 3.296584 0.701347
C -1.499564 4.470535 0.264167
C 0.229945 0.883437 0.547696
C -3.522865 -0.724389 0.172302
C -2.949830 4.354718 0.796768
C -1.488752 4.688471 -1.267919
C -2.545268 0.281284 -0.512585
C -4.823059 -0.050112 0.674051
C 1.538257 -1.115375 0.148965
C -2.948726 -2.997776 -0.781488
C 1.172176 0.496242 -1.778984
C -1.748303 -3.102973 0.181048
C -4.810892 -1.713314 -1.763154
C 0.542222 -2.205939 0.500882
C 2.870332 -1.394831 0.280036
C 4.053185 -0.544540 0.083746
C 5.323558 -1.186827 -0.009150
C 4.017529 0.880777 0.026191
C 6.508348 -0.442946 -0.179741
C 5.203858 1.624209 -0.133302
C 6.453722 0.968953 -0.245795
H -0.698538 2.045807 -1.098847
H -0.650186 3.136317 1.795259
H 0.475620 3.596776 0.511759
H -1.057211 5.375721 0.732104
H -2.363795 1.326956 1.269893
H -2.978636 -1.098304 1.061316
H -3.509294 5.286972 0.594077
H -2.963741 4.188528 1.891064
H -3.491979 3.524027 0.311047
H -0.456885 4.776774 -1.658404
H -2.028433 5.615699 -1.534418
H -1.986479 3.854450 -1.797143
H -4.595432 0.721566 1.430794
H -5.377432 0.436523 -0.145153
H -5.477652 -0.802321 1.146715
H 1.943395 -0.164235 -2.202454
H 1.524717 1.536814 -1.887005
H 0.230167 0.365538 -2.342241
H -2.063722 -3.026865 1.242082
H -1.336320 -4.117437 0.049230
H -5.823664 -1.657671 -1.326718
H -4.754253 -2.597437 -2.415767
H -4.608550 -0.805241 -2.358957
H -0.858503 -1.431849 -0.862947
H 3.071401 -2.429538 0.591912
H 5.371222 -2.280826 0.053248
H 3.064229 1.402070 0.145345
H 7.471415 -0.959708 -0.253534
H 5.158429 2.718782 -0.160586
H 7.372822 1.551607 -0.372361


