%chk=000296542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296542

0 1
O 0.629956 4.241395 -0.344861
N -0.680936 2.401668 -0.835672
C -0.407259 0.030260 -0.143832
C 0.473555 -1.063841 -0.109037
C 1.904371 -0.860456 0.014079
C -1.828827 -0.213417 0.035464
C 0.173056 1.349958 -0.365604
C 2.412043 0.460565 0.013482
C -2.324754 -1.533860 -0.113495
C -0.058797 -2.401239 -0.208319
C 1.522247 1.556915 -0.232044
C -1.398405 -2.624898 -0.272658
C 2.818754 -1.941906 0.173152
C -2.753139 0.796045 0.436240
C 3.808442 0.682544 0.200693
C -3.724577 -1.784993 -0.038835
C 4.165318 -1.709822 0.345733
C -4.102262 0.530478 0.534911
C 4.665583 -0.381774 0.365355
C -4.602261 -0.766750 0.260196
C -0.393063 3.780855 -0.808046
H 0.648880 -3.232053 -0.256515
H 1.953525 2.559613 -0.337577
H -1.798731 -3.629500 -0.407253
H 2.435247 -2.963607 0.163657
H -2.382537 1.777872 0.731462
H 4.179451 1.707119 0.211926
H -4.086919 -2.798435 -0.208699
H -1.562344 2.095416 -1.258781
H 4.859964 -2.538177 0.471710
H -4.797748 1.310647 0.842433
H 5.732767 -0.220111 0.511077
H -5.674086 -0.948517 0.313551
H -1.199013 4.392909 -1.248791


%chk=000296542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296542

0 1
O 0.722559 4.355118 -0.561715
N -0.667644 2.438512 -0.709087
C -0.409229 0.041247 -0.100245
C 0.485315 -1.083196 -0.074261
C 1.928276 -0.885202 0.037709
C -1.852051 -0.198035 0.030158
C 0.179048 1.366549 -0.290904
C 2.443430 0.461206 0.042559
C -2.357087 -1.544703 -0.130989
C -0.066355 -2.412323 -0.181510
C 1.554267 1.563305 -0.174440
C -1.427670 -2.632484 -0.277004
C 2.861153 -1.962004 0.174274
C -2.806828 0.808784 0.410027
C 3.849548 0.686513 0.191111
C -3.763057 -1.799243 -0.070951
C 4.233240 -1.721027 0.319439
C -4.178204 0.529384 0.495999
C 4.735059 -0.385570 0.329284
C -4.672203 -0.775964 0.213356
C -0.365896 3.787920 -0.852067
H 0.610798 -3.268951 -0.226233
H 1.958939 2.571755 -0.286515
H -1.819913 -3.647043 -0.411380
H 2.510563 -2.997984 0.186735
H -2.461376 1.794398 0.734739
H 4.218582 1.718323 0.188959
H -4.115031 -2.826728 -0.221394
H -1.601935 2.165609 -1.027069
H 4.925031 -2.563030 0.431428
H -4.870847 1.318408 0.809032
H 5.809371 -0.205897 0.443886
H -5.746537 -0.981775 0.262966
H -1.235817 4.345030 -1.270791


