%chk=000203034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203034

0 1
O -3.751396 1.961779 0.299684
N -0.413047 0.685871 -0.270474
N 2.459632 0.466276 -0.120773
N 4.386304 -0.863009 -0.554779
C 0.409885 1.764268 0.367424
C 0.364841 0.045177 -1.380278
C 1.685430 1.137938 0.966581
C 1.653274 -0.584455 -0.815939
C -1.726175 1.216464 -0.750905
C -2.791917 0.870793 0.320292
C 3.829000 0.215484 0.103610
C -3.556066 -0.387621 -0.027336
C 4.626560 1.100831 0.880884
C -4.903185 -0.341914 -0.405836
C -2.887200 -1.620101 0.035985
C -3.587106 2.918937 1.359497
C 5.997465 0.880548 0.948508
C -5.580987 -1.524721 -0.716465
C -3.568631 -2.798194 -0.276022
C 5.726798 -1.040859 -0.470682
C -4.916150 -2.752736 -0.651904
C 6.571383 -0.200412 0.268306
H -0.186710 2.226312 1.182631
H 0.687354 2.575039 -0.342009
H 0.620422 0.756357 -2.195969
H -0.262298 -0.759137 -1.824967
H 2.304205 1.935858 1.433984
H 1.411700 0.412575 1.766630
H 1.407819 -1.421985 -0.126320
H 2.252488 -1.015327 -1.652796
H -1.734973 2.313350 -0.927830
H -2.015837 0.764303 -1.723431
H -2.337449 0.775990 1.332287
H 4.173877 1.943634 1.393980
H -5.415044 0.621801 -0.451323
H -1.835253 -1.650723 0.323905
H -3.745651 2.444265 2.332686
H -4.383341 3.645006 1.150860
H -2.605112 3.395890 1.303638
H 6.627516 1.551729 1.533257
H -6.628498 -1.486996 -1.008922
H -3.050685 -3.753883 -0.225760
H 6.121155 -1.905641 -1.018792
H -5.444804 -3.672254 -0.893139
H 7.638405 -0.385205 0.311724


%chk=000203034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203034

0 1
O -3.828984 2.082248 0.081439
N -0.428116 0.540601 -0.324454
N 2.382977 0.097576 0.130525
N 4.414029 -0.400077 -0.949889
C 0.323565 1.371738 0.643751
C 0.460290 0.114638 -1.437877
C 1.529387 0.596828 1.218329
C 1.655100 -0.683995 -0.890949
C -1.681597 1.187399 -0.780664
C -2.853278 0.989472 0.234041
C 3.778407 0.137101 0.147751
C -3.583421 -0.336238 0.031043
C 4.532189 0.705733 1.228421
C -4.939531 -0.371453 -0.375113
C -2.890428 -1.557286 0.240984
C -3.458014 3.294156 0.806497
C 5.934697 0.732489 1.138526
C -5.593163 -1.610218 -0.570430
C -3.546269 -2.793017 0.045325
C 5.771714 -0.363108 -1.005776
C -4.901240 -2.825085 -0.360773
C 6.587774 0.195125 0.000953
H -0.343976 1.658780 1.477867
H 0.696111 2.313992 0.165327
H 0.841710 0.991264 -2.018686
H -0.121784 -0.527134 -2.123999
H 2.096849 1.273624 1.875748
H 1.153657 -0.250664 1.832156
H 1.277472 -1.625222 -0.436194
H 2.368897 -0.935823 -1.689634
H -1.542282 2.282704 -0.954142
H -1.979601 0.743265 -1.746303
H -2.435570 1.017687 1.266414
H 4.044773 1.103416 2.121932
H -5.467469 0.573938 -0.524768
H -1.836732 -1.525711 0.540593
H -3.395944 3.105446 1.899436
H -4.257746 4.024923 0.607365
H -2.490047 3.715269 0.460054
H 6.518128 1.164157 1.959663
H -6.643787 -1.625509 -0.883215
H -3.001937 -3.729772 0.212810
H 6.215344 -0.807169 -1.905474
H -5.410896 -3.784142 -0.508748
H 7.676738 0.199357 -0.096160


